N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine

C19H39N3 — CID 167613512

IUPACN-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
SMILESC/C(CC(C)C)=N\CCCN(C)CCC/N=C(\C)CC(C)C
InChIInChI=1S/C19H39N3/c1-16(2)14-18(5)20-10-8-12-22(7)13-9-11-21-19(6)15-17(3)4/h16-17H,8-15H2,1-7H3/b20-18+,21-19+
InChIKeyLKADEBWUBQWHHQ-FRCMOREXSA-N
MW309.54 g/mol
LogP4.71
Rot. Bonds12

About N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine

N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine (PubChem CID 167613512) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
PubChem CID167613512
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
SMILESC/C(CC(C)C)=N\CCCN(C)CCC/N=C(\C)CC(C)C
InChIInChI=1S/C19H39N3/c1-16(2)14-18(5)20-10-8-12-22(7)13-9-11-21-19(6)15-17(3)4/h16-17H,8-15H2,1-7H3/b20-18+,21-19+
InChIKeyLKADEBWUBQWHHQ-FRCMOREXSA-N
XLogP4.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
CID 135389538
2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid
CID 135389537
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol
CID 139903999
6-[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]propanoyloxy]hexyl 3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]propanoate
CID 18715962
3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide
CID 178130175
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
1-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-3-[3-[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 58436345
4-methyl-N-(3-phenylmethoxysulfanylpropyl)pentan-2-imine
CID 176946252
N-(3-ethoxytridecyl)-4-methylpentan-2-imine
CID 151135054
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine?
The IUPAC name of N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine (CID 167613512) is N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine is C/C(CC(C)C)=N\CCCN(C)CCC/N=C(\C)CC(C)C.
What is the InChIKey of N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine?
The InChIKey is LKADEBWUBQWHHQ-FRCMOREXSA-N. The full InChI is InChI=1S/C19H39N3/c1-16(2)14-18(5)20-10-8-12-22(7)13-9-11-21-19(6)15-17(3)4/h16-17H,8-15H2,1-7H3/b20-18+,21-19+.
What are the key properties of N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine?
N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine has a molecular weight of 309.54 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine is sourced from PubChem (CID 167613512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).