4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine

C17H35N3 — CID 87661703

IUPAC4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine
SMILESC/C(=N\CCCCNCCC/N=C(\C)C(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-14(2)16(5)19-12-8-7-10-18-11-9-13-20-17(6)15(3)4/h14-15,18H,7-13H2,1-6H3/b19-16+,20-17+
InChIKeyLKYRMZBXKSLPCT-VQZJLROISA-N
MW281.49 g/mol
LogP3.98
Rot. Bonds11

About 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine

4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine (PubChem CID 87661703) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine
PubChem CID87661703
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine
SMILESC/C(=N\CCCCNCCC/N=C(\C)C(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-14(2)16(5)19-12-8-7-10-18-11-9-13-20-17(6)15(3)4/h14-15,18H,7-13H2,1-6H3/b19-16+,20-17+
InChIKeyLKYRMZBXKSLPCT-VQZJLROISA-N
XLogP3.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
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

1,5,9-Triazacyclododec-1-ene, 2,4,4-trimethyl-
CID 6395702
2,2,4,11,11,13-Hexamethyl-1,5,10,14-tetraazacyclooctadeca-4,13-diene
CID 172407543
6-(4-methylpentan-2-ylideneamino)-N-[6-(4-methylpentan-2-ylideneamino)hexyl]hexan-1-amine
CID 18660000
N-Methyl-3-[(E)-(3-methylbutan-2-ylidene)amino]propan-1-amine
CID 71336735
N-Methyl-3-[(E)-(4-methylpentan-2-ylidene)amino]propan-1-amine
CID 71402849
3-(2,6-dimethylheptan-3-ylideneamino)-N-[3-(2,6-dimethylheptan-3-ylideneamino)butyl]butan-1-amine
CID 87560197
8-(3-methylbutan-2-ylideneamino)-N-[8-(3-methylbutan-2-ylideneamino)octyl]octan-1-amine
CID 87560522
5-(2,4-dimethylpentan-3-ylideneamino)-N-[5-(2,4-dimethylpentan-3-ylideneamino)pentyl]pentan-1-amine
CID 87561207
N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine
CID 88931102
N-ethyl-3-ethyliminobutan-1-amine
CID 91087360
3-(butan-2-ylideneamino)-N,2-dimethylpropan-1-amine
CID 123304743
N-(2-ethyliminopropyl)-3-methylbutan-1-amine
CID 123723333

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine?
The IUPAC name of 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine (CID 87661703) is 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine.
What is the SMILES notation for 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine?
The canonical SMILES for 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine is C/C(=N\CCCCNCCC/N=C(\C)C(C)C)C(C)C.
What is the InChIKey of 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine?
The InChIKey is LKYRMZBXKSLPCT-VQZJLROISA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)16(5)19-12-8-7-10-18-11-9-13-20-17(6)15(3)4/h14-15,18H,7-13H2,1-6H3/b19-16+,20-17+.
What are the key properties of 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine?
4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylideneamino)-N-[3-(3-methylbutan-2-ylideneamino)propyl]butan-1-amine is sourced from PubChem (CID 87661703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).