N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H28N2 — CID 43752327

IUPACN-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCCCNC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-2-3-4-5-6-10-15-13-9-12-16-11-7-8-14(13)16/h13-15H,2-12H2,1H3
InChIKeyQQRRJLBVYSTNLJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds7

About N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752327) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752327
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCCCNC1CCN2CCCC12
InChIInChI=1S/C14H28N2/c1-2-3-4-5-6-10-15-13-9-12-16-11-7-8-14(13)16/h13-15H,2-12H2,1H3
InChIKeyQQRRJLBVYSTNLJ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
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 N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752327) is N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCCCCCNC1CCN2CCCC12.
What is the InChIKey of N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is QQRRJLBVYSTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-3-4-5-6-10-15-13-9-12-16-11-7-8-14(13)16/h13-15H,2-12H2,1H3.
What are the key properties of N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).