3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine

C14H30N2 — CID 102913546

IUPAC3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)C(CNCC1CCC(N)C1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-16-8-12-5-6-13(15)7-12/h10-14,16H,5-9,15H2,1-4H3
InChIKeySIQHFJMKMSOUTI-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.63
Rot. Bonds6

About 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine

3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine (PubChem CID 102913546) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
PubChem CID102913546
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)C(CNCC1CCC(N)C1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-16-8-12-5-6-13(15)7-12/h10-14,16H,5-9,15H2,1-4H3
InChIKeySIQHFJMKMSOUTI-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine 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

3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
CID 83144240
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
CID 64598761
3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
CID 102904206
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol
CID 165448051
methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
CID 165443865
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine (CID 102913546) is 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine is CC(C)C(CNCC1CCC(N)C1)C(C)C.
What is the InChIKey of 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is SIQHFJMKMSOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-16-8-12-5-6-13(15)7-12/h10-14,16H,5-9,15H2,1-4H3.
What are the key properties of 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine?
3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 102913546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).