N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine

C16H34N2 — CID 62260720

IUPACN,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
SMILESCCCNCC1(CN(C)CCC(C)C)CCCC1
InChIInChI=1S/C16H34N2/c1-5-11-17-13-16(9-6-7-10-16)14-18(4)12-8-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyUEWURLGJKDCOFY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds9

About N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine

N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine (PubChem CID 62260720) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
PubChem CID62260720
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
SMILESCCCNCC1(CN(C)CCC(C)C)CCCC1
InChIInChI=1S/C16H34N2/c1-5-11-17-13-16(9-6-7-10-16)14-18(4)12-8-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyUEWURLGJKDCOFY-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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

N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
CID 62271318
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine (CID 62260720) is N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine is CCCNCC1(CN(C)CCC(C)C)CCCC1.
What is the InChIKey of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine?
The InChIKey is UEWURLGJKDCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-11-17-13-16(9-6-7-10-16)14-18(4)12-8-15(2)3/h15,17H,5-14H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine?
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine is sourced from PubChem (CID 62260720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).