(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine

C15H31N — CID 166767021

IUPAC(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine
SMILESCC(C)CCC/C=C/CCCN(C)C(C)C
InChIInChI=1S/C15H31N/c1-14(2)12-10-8-6-7-9-11-13-16(5)15(3)4/h6-7,14-15H,8-13H2,1-5H3/b7-6+
InChIKeyPSAOIHRHIBTYIX-VOTSOKGWSA-N
MW225.42 g/mol
LogP4.49
Rot. Bonds9

About (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine

(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine (PubChem CID 166767021) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine.

Molecular Properties

Compound Name(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine
PubChem CID166767021
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine
SMILESCC(C)CCC/C=C/CCCN(C)C(C)C
InChIInChI=1S/C15H31N/c1-14(2)12-10-8-6-7-9-11-13-16(5)15(3)4/h6-7,14-15H,8-13H2,1-5H3/b7-6+
InChIKeyPSAOIHRHIBTYIX-VOTSOKGWSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-2,12-dimethyltridec-6-ene
CID 176630963
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
8-methylnon-3-ene
CID 54424784
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(E)-1-iodo-7-methyloct-2-ene
CID 139749748
(Z)-8-methylnon-3-en-1-ol
CID 88790350
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(E)-2,2,9-trimethyldec-4-ene
CID 176646418

Frequently Asked Questions

What is the IUPAC name of (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine?
The IUPAC name of (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine (CID 166767021) is (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine.
What is the SMILES notation for (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine?
The canonical SMILES for (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine is CC(C)CCC/C=C/CCCN(C)C(C)C.
What is the InChIKey of (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine?
The InChIKey is PSAOIHRHIBTYIX-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2)12-10-8-6-7-9-11-13-16(5)15(3)4/h6-7,14-15H,8-13H2,1-5H3/b7-6+.
What are the key properties of (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine?
(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine is sourced from PubChem (CID 166767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).