N,N',N'-trimethylheptane-1,7-diamine

C10H24N2 — CID 20647758

IUPACN,N',N'-trimethylheptane-1,7-diamine
SMILESCNCCCCCCCN(C)C
InChIInChI=1S/C10H24N2/c1-11-9-7-5-4-6-8-10-12(2)3/h11H,4-10H2,1-3H3
InChIKeyKDRZOPCMLBYZQR-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.72
Rot. Bonds8

About N,N',N'-trimethylheptane-1,7-diamine

N,N',N'-trimethylheptane-1,7-diamine (PubChem CID 20647758) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N,N',N'-trimethylheptane-1,7-diamine.

Molecular Properties

Compound NameN,N',N'-trimethylheptane-1,7-diamine
PubChem CID20647758
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN,N',N'-trimethylheptane-1,7-diamine
SMILESCNCCCCCCCN(C)C
InChIInChI=1S/C10H24N2/c1-11-9-7-5-4-6-8-10-12(2)3/h11H,4-10H2,1-3H3
InChIKeyKDRZOPCMLBYZQR-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N',N'-trimethylheptane-1,7-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

azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
CID 137019099
CID 137019099
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethylheptane-1,7-diamine?
The IUPAC name of N,N',N'-trimethylheptane-1,7-diamine (CID 20647758) is N,N',N'-trimethylheptane-1,7-diamine.
What is the SMILES notation for N,N',N'-trimethylheptane-1,7-diamine?
The canonical SMILES for N,N',N'-trimethylheptane-1,7-diamine is CNCCCCCCCN(C)C.
What is the InChIKey of N,N',N'-trimethylheptane-1,7-diamine?
The InChIKey is KDRZOPCMLBYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-11-9-7-5-4-6-8-10-12(2)3/h11H,4-10H2,1-3H3.
What are the key properties of N,N',N'-trimethylheptane-1,7-diamine?
N,N',N'-trimethylheptane-1,7-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethylheptane-1,7-diamine is sourced from PubChem (CID 20647758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).