N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine

C15H31N — CID 146634571

IUPACN,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine
SMILESC=C(C)C(C)C(C)(CCC)CCCN(C)C
InChIInChI=1S/C15H31N/c1-8-10-15(5,14(4)13(2)3)11-9-12-16(6)7/h14H,2,8-12H2,1,3-7H3
InChIKeyNQVWTKCVXIOVPX-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.35
Rot. Bonds8

About N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine

N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine (PubChem CID 146634571) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine.

Molecular Properties

Compound NameN,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine
PubChem CID146634571
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine
SMILESC=C(C)C(C)C(C)(CCC)CCCN(C)C
InChIInChI=1S/C15H31N/c1-8-10-15(5,14(4)13(2)3)11-9-12-16(6)7/h14H,2,8-12H2,1,3-7H3
InChIKeyNQVWTKCVXIOVPX-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine?
The IUPAC name of N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine (CID 146634571) is N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine.
What is the SMILES notation for N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine?
The canonical SMILES for N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine is C=C(C)C(C)C(C)(CCC)CCCN(C)C.
What is the InChIKey of N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine?
The InChIKey is NQVWTKCVXIOVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-10-15(5,14(4)13(2)3)11-9-12-16(6)7/h14H,2,8-12H2,1,3-7H3.
What are the key properties of N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine?
N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5,6-pentamethyl-4-propylhept-6-en-1-amine is sourced from PubChem (CID 146634571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).