N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine

C16H32N2 — CID 62260375

IUPACN-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC2CC2)C(C)C)CCCC1
InChIInChI=1S/C16H32N2/c1-4-17-12-16(9-5-6-10-16)13-18(14(2)3)11-15-7-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyBUQSJNJPIIYOFB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine

N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 62260375) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID62260375
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine
SMILESCCNCC1(CN(CC2CC2)C(C)C)CCCC1
InChIInChI=1S/C16H32N2/c1-4-17-12-16(9-5-6-10-16)13-18(14(2)3)11-15-7-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyBUQSJNJPIIYOFB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62260391
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine (CID 62260375) is N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine is CCNCC1(CN(CC2CC2)C(C)C)CCCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is BUQSJNJPIIYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-17-12-16(9-5-6-10-16)13-18(14(2)3)11-15-7-8-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine?
N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62260375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).