3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine

C14H30N2 — CID 114547293

IUPAC3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
SMILESCC1CCC(NCCCC(C)(C)CCN)C1
InChIInChI=1S/C14H30N2/c1-12-5-6-13(11-12)16-10-4-7-14(2,3)8-9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyIJFMIGKUGGHHCD-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds7

About 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine

3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine (PubChem CID 114547293) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine.

Molecular Properties

Compound Name3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
PubChem CID114547293
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
SMILESCC1CCC(NCCCC(C)(C)CCN)C1
InChIInChI=1S/C14H30N2/c1-12-5-6-13(11-12)16-10-4-7-14(2,3)8-9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyIJFMIGKUGGHHCD-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
CID 104937631
3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
CID 114191125
N'-(2,2-dimethylcyclopropyl)-3,3-dimethylhexane-1,6-diamine
CID 65296505
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
cis-(1S,3R)-3-methyl-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 30980577
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-3-methylcyclopentan-1-amine
CID 114547242
1-N-(3-methylcyclopentyl)hexane-1,3-diamine
CID 114547292

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine?
The IUPAC name of 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine (CID 114547293) is 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine.
What is the SMILES notation for 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine?
The canonical SMILES for 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine is CC1CCC(NCCCC(C)(C)CCN)C1.
What is the InChIKey of 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine?
The InChIKey is IJFMIGKUGGHHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-5-6-13(11-12)16-10-4-7-14(2,3)8-9-15/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine?
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine is sourced from PubChem (CID 114547293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).