2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine

C16H36N2 — CID 79409681

IUPAC2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-9-17-10-15(6)16(7)18(11-13(2)3)12-14(4)5/h13-17H,8-12H2,1-7H3
InChIKeyUKSUKHPDUFLRJU-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.62
Rot. Bonds10

About 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine

2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine (PubChem CID 79409681) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
PubChem CID79409681
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-9-17-10-15(6)16(7)18(11-13(2)3)12-14(4)5/h13-17H,8-12H2,1-7H3
InChIKeyUKSUKHPDUFLRJU-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
CID 79490524
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
2-methyl-N-propylpropan-1-amine
CID 520943
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The IUPAC name of 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine (CID 79409681) is 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine is CCCNCC(C)C(C)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
The InChIKey is UKSUKHPDUFLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-9-17-10-15(6)16(7)18(11-13(2)3)12-14(4)5/h13-17H,8-12H2,1-7H3.
What are the key properties of 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine?
2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79409681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).