3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine

C13H29N3 — CID 79462761

IUPAC3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine
SMILESCC(C)CC(CN(C)C)NC1CCC(N)C1
InChIInChI=1S/C13H29N3/c1-10(2)7-13(9-16(3)4)15-12-6-5-11(14)8-12/h10-13,15H,5-9,14H2,1-4H3
InChIKeyCGTXRWHMXPJPKQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.43
Rot. Bonds6

About 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine

3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine (PubChem CID 79462761) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine
PubChem CID79462761
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine
SMILESCC(C)CC(CN(C)C)NC1CCC(N)C1
InChIInChI=1S/C13H29N3/c1-10(2)7-13(9-16(3)4)15-12-6-5-11(14)8-12/h10-13,15H,5-9,14H2,1-4H3
InChIKeyCGTXRWHMXPJPKQ-UHFFFAOYSA-N
XLogP1.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine
CID 43751710
2-[(3-aminocyclopentyl)amino]propane-1,3-diol
CID 79461491
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
CID 79461153
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
3-(2,2-dimethylhydrazinyl)cyclopentan-1-amine
CID 83005441
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922
1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine
CID 79895591
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
CID 80560519
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine (CID 79462761) is 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine is CC(C)CC(CN(C)C)NC1CCC(N)C1.
What is the InChIKey of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine?
The InChIKey is CGTXRWHMXPJPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-10(2)7-13(9-16(3)4)15-12-6-5-11(14)8-12/h10-13,15H,5-9,14H2,1-4H3.
What are the key properties of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine?
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).