N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine

C15H30N2 — CID 79186073

IUPACN,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine
SMILESC=C(C)CC(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H30N2/c1-6-15(4,14(16-5)12-13(2)3)17-10-8-7-9-11-17/h14,16H,2,6-12H2,1,3-5H3
InChIKeyIGMGSDNMZMDRQV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

About N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine

N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine (PubChem CID 79186073) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine
PubChem CID79186073
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine
SMILESC=C(C)CC(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H30N2/c1-6-15(4,14(16-5)12-13(2)3)17-10-8-7-9-11-17/h14,16H,2,6-12H2,1,3-5H3
InChIKeyIGMGSDNMZMDRQV-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine?
The IUPAC name of N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine (CID 79186073) is N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine.
What is the SMILES notation for N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine?
The canonical SMILES for N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine is C=C(C)CC(NC)C(C)(CC)N1CCCCC1.
What is the InChIKey of N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine?
The InChIKey is IGMGSDNMZMDRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(4,14(16-5)12-13(2)3)17-10-8-7-9-11-17/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine?
N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-5-piperidin-1-ylhept-1-en-4-amine is sourced from PubChem (CID 79186073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).