N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine

C17H34N2O — CID 103538890

IUPACN-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCOC1CCN(CC2(CNC(C)C)CCCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-15(2)18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)20-3/h15-16,18H,4-14H2,1-3H3
InChIKeyZFGMQVJTTBALJN-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds6

About N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 103538890) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID103538890
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCOC1CCN(CC2(CNC(C)C)CCCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-15(2)18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)20-3/h15-16,18H,4-14H2,1-3H3
InChIKeyZFGMQVJTTBALJN-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
CID 103538925
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63619386
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine (CID 103538890) is N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine is COC1CCN(CC2(CNC(C)C)CCCCCC2)C1.
What is the InChIKey of N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is ZFGMQVJTTBALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)20-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 103538890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).