N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine

C16H32N2 — CID 113418855

IUPACN-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCC(CC)C1
InChIInChI=1S/C16H32N2/c1-4-9-16(3,12-17-15-6-7-15)13-18-10-8-14(5-2)11-18/h14-15,17H,4-13H2,1-3H3
InChIKeyDANBEWKTWYJIHH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds8

About N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine

N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine (PubChem CID 113418855) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
PubChem CID113418855
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCC(CC)C1
InChIInChI=1S/C16H32N2/c1-4-9-16(3,12-17-15-6-7-15)13-18-10-8-14(5-2)11-18/h14-15,17H,4-13H2,1-3H3
InChIKeyDANBEWKTWYJIHH-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-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
CID 62259536
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
CID 102728269
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 82751638
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
N-[2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentyl]cyclopropanamine
CID 79933854
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
N-[2-(cyclopropylmethoxymethyl)-2-methylpentyl]cyclopropanamine
CID 106930748

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine (CID 113418855) is N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)CN1CCC(CC)C1.
What is the InChIKey of N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is DANBEWKTWYJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-9-16(3,12-17-15-6-7-15)13-18-10-8-14(5-2)11-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine?
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine 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-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 113418855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).