N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine

C16H34N2 — CID 79565802

IUPACN-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCCCN(CCC1CCCC1NC)C(C)C
InChIInChI=1S/C16H34N2/c1-5-6-7-12-18(14(2)3)13-11-15-9-8-10-16(15)17-4/h14-17H,5-13H2,1-4H3
InChIKeyPAVCPWCMAIBDPJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine

N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine (PubChem CID 79565802) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
PubChem CID79565802
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
SMILESCCCCCN(CCC1CCCC1NC)C(C)C
InChIInChI=1S/C16H34N2/c1-5-6-7-12-18(14(2)3)13-11-15-9-8-10-16(15)17-4/h14-17H,5-13H2,1-4H3
InChIKeyPAVCPWCMAIBDPJ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565510
N-methyl-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-amine
CID 79565901
N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79570190
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63495395
3-[[2-(methylamino)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 62614618
2-[2-[1-cyclopropylethyl(methyl)amino]ethyl]-N-methylcyclopentan-1-amine
CID 79568850
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
CID 71071796
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
butan-1-ol;2-butyl-N-methylcycloheptan-1-amine
CID 71071246

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine (CID 79565802) is N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine is CCCCCN(CCC1CCCC1NC)C(C)C.
What is the InChIKey of N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
The InChIKey is PAVCPWCMAIBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-7-12-18(14(2)3)13-11-15-9-8-10-16(15)17-4/h14-17H,5-13H2,1-4H3.
What are the key properties of N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine?
N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79565802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).