1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine

C17H35N3 — CID 65085253

IUPAC1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2(CN)CCCC(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-19(5-2)16-9-12-20(13-16)17(14-18)10-6-7-15(3)8-11-17/h15-16H,4-14,18H2,1-3H3
InChIKeyVXSPPHGDZKUCSP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine

1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 65085253) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID65085253
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2(CN)CCCC(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-19(5-2)16-9-12-20(13-16)17(14-18)10-6-7-15(3)8-11-17/h15-16H,4-14,18H2,1-3H3
InChIKeyVXSPPHGDZKUCSP-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine (CID 65085253) is 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C2(CN)CCCC(C)CC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is VXSPPHGDZKUCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-19(5-2)16-9-12-20(13-16)17(14-18)10-6-7-15(3)8-11-17/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 65085253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).