N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine

C18H36N2 — CID 65091119

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C18H36N2/c1-4-6-16-7-5-8-18(10-9-16)19-13-17-11-12-20(14-17)15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyZXBVEWQZGHUXNK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 65091119) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID65091119
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C18H36N2/c1-4-6-16-7-5-8-18(10-9-16)19-13-17-11-12-20(14-17)15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyZXBVEWQZGHUXNK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine (CID 65091119) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCC2CCN(C(C)C)C2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is ZXBVEWQZGHUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-16-7-5-8-18(10-9-16)19-13-17-11-12-20(14-17)15(2)3/h15-19H,4-14H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).