5-N,5-N-diethylhexane-1,5-diamine

C10H24N2 — CID 20587648

IUPAC5-N,5-N-diethylhexane-1,5-diamine
SMILESCCN(CC)C(C)CCCCN
InChIInChI=1S/C10H24N2/c1-4-12(5-2)10(3)8-6-7-9-11/h10H,4-9,11H2,1-3H3
InChIKeyNQGYYEFDBZYHEH-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.85
Rot. Bonds7

About 5-N,5-N-diethylhexane-1,5-diamine

5-N,5-N-diethylhexane-1,5-diamine (PubChem CID 20587648) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 5-N,5-N-diethylhexane-1,5-diamine.

Molecular Properties

Compound Name5-N,5-N-diethylhexane-1,5-diamine
PubChem CID20587648
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name5-N,5-N-diethylhexane-1,5-diamine
SMILESCCN(CC)C(C)CCCCN
InChIInChI=1S/C10H24N2/c1-4-12(5-2)10(3)8-6-7-9-11/h10H,4-9,11H2,1-3H3
InChIKeyNQGYYEFDBZYHEH-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N,5-N-diethylhexane-1,5-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-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
4-(diethylamino)pentan-1-ol
CID 87480053
5-ethylsulfanylhexan-1-amine
CID 138478357
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
36-methylheptatriacontan-1-amine
CID 134324173
N-ethyl-N-propylicosan-2-amine
CID 172693354
ethane;5-methylheptan-1-amine
CID 143088899
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethylhexane-1,5-diamine?
The IUPAC name of 5-N,5-N-diethylhexane-1,5-diamine (CID 20587648) is 5-N,5-N-diethylhexane-1,5-diamine.
What is the SMILES notation for 5-N,5-N-diethylhexane-1,5-diamine?
The canonical SMILES for 5-N,5-N-diethylhexane-1,5-diamine is CCN(CC)C(C)CCCCN.
What is the InChIKey of 5-N,5-N-diethylhexane-1,5-diamine?
The InChIKey is NQGYYEFDBZYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-12(5-2)10(3)8-6-7-9-11/h10H,4-9,11H2,1-3H3.
What are the key properties of 5-N,5-N-diethylhexane-1,5-diamine?
5-N,5-N-diethylhexane-1,5-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethylhexane-1,5-diamine is sourced from PubChem (CID 20587648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).