(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine

C16H33N — CID 174381732

IUPAC(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine
SMILESCCCN(C)C(C)(CC(C)C)/C(C)=C\C(C)C
InChIInChI=1S/C16H33N/c1-9-10-17(8)16(7,12-14(4)5)15(6)11-13(2)3/h11,13-14H,9-10,12H2,1-8H3/b15-11-
InChIKeyIHNWOWBFGYSRIO-PTNGSMBKSA-N
MW239.45 g/mol
LogP4.74
Rot. Bonds7

About (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine

(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine (PubChem CID 174381732) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine.

Molecular Properties

Compound Name(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine
PubChem CID174381732
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine
SMILESCCCN(C)C(C)(CC(C)C)/C(C)=C\C(C)C
InChIInChI=1S/C16H33N/c1-9-10-17(8)16(7,12-14(4)5)15(6)11-13(2)3/h11,13-14H,9-10,12H2,1-8H3/b15-11-
InChIKeyIHNWOWBFGYSRIO-PTNGSMBKSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.74
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 (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine?
The IUPAC name of (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine (CID 174381732) is (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine.
What is the SMILES notation for (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine?
The canonical SMILES for (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine is CCCN(C)C(C)(CC(C)C)/C(C)=C\C(C)C.
What is the InChIKey of (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine?
The InChIKey is IHNWOWBFGYSRIO-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H33N/c1-9-10-17(8)16(7,12-14(4)5)15(6)11-13(2)3/h11,13-14H,9-10,12H2,1-8H3/b15-11-.
What are the key properties of (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine?
(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine has a molecular weight of 239.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine is sourced from PubChem (CID 174381732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).