(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine

C15H29N — CID 131968254

IUPAC(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine
SMILESC=CCC(C)/C(=C/CNCCC)C(C)CC
InChIInChI=1S/C15H29N/c1-6-9-14(5)15(13(4)8-3)10-12-16-11-7-2/h6,10,13-14,16H,1,7-9,11-12H2,2-5H3/b15-10+
InChIKeyOZPKEBZSYXGBRR-XNTDXEJSSA-N
MW223.40 g/mol
LogP4.17
Rot. Bonds9

About (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine

(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine (PubChem CID 131968254) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine
PubChem CID131968254
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine
SMILESC=CCC(C)/C(=C/CNCCC)C(C)CC
InChIInChI=1S/C15H29N/c1-6-9-14(5)15(13(4)8-3)10-12-16-11-7-2/h6,10,13-14,16H,1,7-9,11-12H2,2-5H3/b15-10+
InChIKeyOZPKEBZSYXGBRR-XNTDXEJSSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
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

3-methyl-N-propylbut-2-en-1-amine
CID 55206819
N-propylhepta-1,6-dien-4-amine
CID 88756960
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
methyl 2-(pentylamino)pent-4-enoate
CID 135182519
tert-butyl N-[1-oxo-1-(propylamino)pent-4-en-2-yl]carbamate
CID 163901236
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
3-(4-phenylphenyl)-N-propylbut-2-en-1-amine
CID 57040911
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346

Frequently Asked Questions

What is the IUPAC name of (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine (CID 131968254) is (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine is C=CCC(C)/C(=C/CNCCC)C(C)CC.
What is the InChIKey of (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine?
The InChIKey is OZPKEBZSYXGBRR-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H29N/c1-6-9-14(5)15(13(4)8-3)10-12-16-11-7-2/h6,10,13-14,16H,1,7-9,11-12H2,2-5H3/b15-10+.
What are the key properties of (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine?
(2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-butan-2-yl-4-methyl-N-propylhepta-2,6-dien-1-amine is sourced from PubChem (CID 131968254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).