N-hept-6-enyl-N-propylpiperidin-3-amine

C15H30N2 — CID 107008007

IUPACN-hept-6-enyl-N-propylpiperidin-3-amine
SMILESC=CCCCCCN(CCC)C1CCCNC1
InChIInChI=1S/C15H30N2/c1-3-5-6-7-8-13-17(12-4-2)15-10-9-11-16-14-15/h3,15-16H,1,4-14H2,2H3
InChIKeyBZFZRAVRSPLFBK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds9

About N-hept-6-enyl-N-propylpiperidin-3-amine

N-hept-6-enyl-N-propylpiperidin-3-amine (PubChem CID 107008007) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-hept-6-enyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-hept-6-enyl-N-propylpiperidin-3-amine
PubChem CID107008007
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-hept-6-enyl-N-propylpiperidin-3-amine
SMILESC=CCCCCCN(CCC)C1CCCNC1
InChIInChI=1S/C15H30N2/c1-3-5-6-7-8-13-17(12-4-2)15-10-9-11-16-14-15/h3,15-16H,1,4-14H2,2H3
InChIKeyBZFZRAVRSPLFBK-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
CID 115741376
(3S)-3-hept-6-enoxypiperidine
CID 107007733
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
non-1-ene;pyrrolidine
CID 67533369
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 63636647
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-N-propylpiperidin-3-amine?
The IUPAC name of N-hept-6-enyl-N-propylpiperidin-3-amine (CID 107008007) is N-hept-6-enyl-N-propylpiperidin-3-amine.
What is the SMILES notation for N-hept-6-enyl-N-propylpiperidin-3-amine?
The canonical SMILES for N-hept-6-enyl-N-propylpiperidin-3-amine is C=CCCCCCN(CCC)C1CCCNC1.
What is the InChIKey of N-hept-6-enyl-N-propylpiperidin-3-amine?
The InChIKey is BZFZRAVRSPLFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-6-7-8-13-17(12-4-2)15-10-9-11-16-14-15/h3,15-16H,1,4-14H2,2H3.
What are the key properties of N-hept-6-enyl-N-propylpiperidin-3-amine?
N-hept-6-enyl-N-propylpiperidin-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 107008007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).