4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine

C16H36N2 — CID 55073668

IUPAC4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3
InChIKeySWKKBRDOVWRICE-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds10

About 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine

4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 55073668) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID55073668
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3
InChIKeySWKKBRDOVWRICE-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
3-N-methyl-3-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62420547
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
N-propan-2-ylbutan-1-amine chloride
CID 19629099

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine (CID 55073668) is 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine is CC(C)CN(CC(C)C)C(C)CCCNC(C)C.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is SWKKBRDOVWRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3.
What are the key properties of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 55073668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).