7-pyrrolidin-1-ylheptan-1-amine

C11H24N2 — CID 28596867

IUPAC7-pyrrolidin-1-ylheptan-1-amine
SMILESNCCCCCCCN1CCCC1
InChIInChI=1S/C11H24N2/c12-8-4-2-1-3-5-9-13-10-6-7-11-13/h1-12H2
InChIKeyIDBMSBDOLQSCEW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds7

About 7-pyrrolidin-1-ylheptan-1-amine

7-pyrrolidin-1-ylheptan-1-amine (PubChem CID 28596867) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 7-pyrrolidin-1-ylheptan-1-amine.

Molecular Properties

Compound Name7-pyrrolidin-1-ylheptan-1-amine
PubChem CID28596867
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name7-pyrrolidin-1-ylheptan-1-amine
SMILESNCCCCCCCN1CCCC1
InChIInChI=1S/C11H24N2/c12-8-4-2-1-3-5-9-13-10-6-7-11-13/h1-12H2
InChIKeyIDBMSBDOLQSCEW-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-ylheptan-1-amine?
The IUPAC name of 7-pyrrolidin-1-ylheptan-1-amine (CID 28596867) is 7-pyrrolidin-1-ylheptan-1-amine.
What is the SMILES notation for 7-pyrrolidin-1-ylheptan-1-amine?
The canonical SMILES for 7-pyrrolidin-1-ylheptan-1-amine is NCCCCCCCN1CCCC1.
What is the InChIKey of 7-pyrrolidin-1-ylheptan-1-amine?
The InChIKey is IDBMSBDOLQSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c12-8-4-2-1-3-5-9-13-10-6-7-11-13/h1-12H2.
What are the key properties of 7-pyrrolidin-1-ylheptan-1-amine?
7-pyrrolidin-1-ylheptan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-ylheptan-1-amine is sourced from PubChem (CID 28596867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).