(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine

C19H35N — CID 122692195

IUPAC(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine
SMILESCC/C=C\CC/C=C(\C)CN(CCC)C(C)(C)C1CC1
InChIInChI=1S/C19H35N/c1-6-8-9-10-11-12-17(3)16-20(15-7-2)19(4,5)18-13-14-18/h8-9,12,18H,6-7,10-11,13-16H2,1-5H3/b9-8-,17-12+
InChIKeyXBIWRASCAWRTJA-PQUFBVFYSA-N
MW277.50 g/mol
LogP5.58
Rot. Bonds10

About (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine

(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine (PubChem CID 122692195) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine
PubChem CID122692195
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine
SMILESCC/C=C\CC/C=C(\C)CN(CCC)C(C)(C)C1CC1
InChIInChI=1S/C19H35N/c1-6-8-9-10-11-12-17(3)16-20(15-7-2)19(4,5)18-13-14-18/h8-9,12,18H,6-7,10-11,13-16H2,1-5H3/b9-8-,17-12+
InChIKeyXBIWRASCAWRTJA-PQUFBVFYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.58
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

N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine
CID 59087303
(6R)-3-cyclopropyl-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 59864835
(2Z,7Z)-N-(1-cyclopropylethenyl)-4-methyl-N-prop-2-enylnona-2,7-dien-1-amine
CID 68302236
(2E)-N-(cyclopropylmethyl)-3,7-dimethyl-N-(3-methylpent-1-en-2-yl)octa-2,6-dien-1-amine
CID 68302336
N-(1-cyclopropylethenyl)-N-[(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 68302354
(2Z)-N-tert-butyl-N-(1-cyclopropylethenyl)-3,7-dimethylocta-2,6-dien-1-amine
CID 68302371
N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine
CID 72512399
3-cyclopropyl-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 72581784
1-(3,7-Dimethylocta-1,6-dien-3-yl)aziridine
CID 88712056
N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine
CID 90742759
(2Z)-N,3,7-trimethyl-N-(2-methylpentan-2-yl)octa-2,6-dien-1-amine
CID 122692267
2-Ethylbut-3-enyl-[2-(5-ethylideneoctyl)-1-(3-methylbut-1-enyl)cyclopropyl]-dimethylazanium
CID 123312321

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine?
The IUPAC name of (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine (CID 122692195) is (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine.
What is the SMILES notation for (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine?
The canonical SMILES for (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine is CC/C=C\CC/C=C(\C)CN(CCC)C(C)(C)C1CC1.
What is the InChIKey of (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine?
The InChIKey is XBIWRASCAWRTJA-PQUFBVFYSA-N. The full InChI is InChI=1S/C19H35N/c1-6-8-9-10-11-12-17(3)16-20(15-7-2)19(4,5)18-13-14-18/h8-9,12,18H,6-7,10-11,13-16H2,1-5H3/b9-8-,17-12+.
What are the key properties of (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine?
(2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-(2-cyclopropylpropan-2-yl)-2-methyl-N-propylnona-2,6-dien-1-amine is sourced from PubChem (CID 122692195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).