4-ethyl-2-methylheptane-1,7-diamine

C10H24N2 — CID 18353547

IUPAC4-ethyl-2-methylheptane-1,7-diamine
SMILESCCC(CCCN)CC(C)CN
InChIInChI=1S/C10H24N2/c1-3-10(5-4-6-11)7-9(2)8-12/h9-10H,3-8,11-12H2,1-2H3
InChIKeyFQUGNEZGUMPOFI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.74
Rot. Bonds7

About 4-ethyl-2-methylheptane-1,7-diamine

4-ethyl-2-methylheptane-1,7-diamine (PubChem CID 18353547) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 4-ethyl-2-methylheptane-1,7-diamine.

Molecular Properties

Compound Name4-ethyl-2-methylheptane-1,7-diamine
PubChem CID18353547
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name4-ethyl-2-methylheptane-1,7-diamine
SMILESCCC(CCCN)CC(C)CN
InChIInChI=1S/C10H24N2/c1-3-10(5-4-6-11)7-9(2)8-12/h9-10H,3-8,11-12H2,1-2H3
InChIKeyFQUGNEZGUMPOFI-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-methylheptane-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

4-ethyl-2-methyloctadecan-1-amine
CID 139984402
4-ethyloctane-1,6-diamine
CID 89464533
6-ethyl-2-methyloctan-1-amine
CID 169188535
2-ethylundecane-1,11-diamine
CID 118354607
2-ethyl-4-methyloctan-1-amine
CID 21358746
12-ethyltetradecan-1-amine
CID 87456130
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
6-ethyl-4-methyldecane
CID 22224210
11-ethyl-9-methylhenicosane
CID 154589575
5,11-diethyl-7-methylpentadecane
CID 174871265
5-ethyl-7-methylhexadecane
CID 173452938
8-ethyl-4,6-dimethyldodecane
CID 123186055

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylheptane-1,7-diamine?
The IUPAC name of 4-ethyl-2-methylheptane-1,7-diamine (CID 18353547) is 4-ethyl-2-methylheptane-1,7-diamine.
What is the SMILES notation for 4-ethyl-2-methylheptane-1,7-diamine?
The canonical SMILES for 4-ethyl-2-methylheptane-1,7-diamine is CCC(CCCN)CC(C)CN.
What is the InChIKey of 4-ethyl-2-methylheptane-1,7-diamine?
The InChIKey is FQUGNEZGUMPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-10(5-4-6-11)7-9(2)8-12/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 4-ethyl-2-methylheptane-1,7-diamine?
4-ethyl-2-methylheptane-1,7-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylheptane-1,7-diamine is sourced from PubChem (CID 18353547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).