1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine

C16H31N3 — CID 80552697

IUPAC1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(C3CCCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c17-14-7-10-18(11-8-14)16-9-12-19(13-16)15-5-3-1-2-4-6-15/h14-16H,1-13,17H2
InChIKeyMZWNYUMSJIOWJF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.21
Rot. Bonds2

About 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine

1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80552697) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80552697
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(C3CCCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c17-14-7-10-18(11-8-14)16-9-12-19(13-16)15-5-3-1-2-4-6-15/h14-16H,1-13,17H2
InChIKeyMZWNYUMSJIOWJF-UHFFFAOYSA-N
XLogP2.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine (CID 80552697) is 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine is NC1CCN(C2CCN(C3CCCCCC3)C2)CC1.
What is the InChIKey of 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is MZWNYUMSJIOWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c17-14-7-10-18(11-8-14)16-9-12-19(13-16)15-5-3-1-2-4-6-15/h14-16H,1-13,17H2.
What are the key properties of 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80552697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).