(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine

C15H27N — CID 153393660

IUPAC(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
SMILESC=C/C=C\CC[C@@H](C)C(=C)NCCC(C)C
InChIInChI=1S/C15H27N/c1-6-7-8-9-10-14(4)15(5)16-12-11-13(2)3/h6-8,13-14,16H,1,5,9-12H2,2-4H3/b8-7-/t14-/m1/s1
InChIKeyINDVIEZIKCTUQY-WBTMPAOCSA-N
MW221.39 g/mol
LogP4.29
Rot. Bonds9

About (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine

(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine (PubChem CID 153393660) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine.

Molecular Properties

Compound Name(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
PubChem CID153393660
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
SMILESC=C/C=C\CC[C@@H](C)C(=C)NCCC(C)C
InChIInChI=1S/C15H27N/c1-6-7-8-9-10-14(4)15(5)16-12-11-13(2)3/h6-8,13-14,16H,1,5,9-12H2,2-4H3/b8-7-/t14-/m1/s1
InChIKeyINDVIEZIKCTUQY-WBTMPAOCSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

8,11-dimethyldodeca-1,3,7-triene
CID 91281393
11-methyldodeca-1,3-diene
CID 154156925
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
(7E)-deca-7,9-dien-4-ol
CID 46176590
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
CID 156713243
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
CID 126612378
7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
CID 154245049
N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine
CID 153204423
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
7,11,15-trimethylhexadeca-1,3-dien-8-ol
CID 123235755
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757

Frequently Asked Questions

What is the IUPAC name of (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine?
The IUPAC name of (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine (CID 153393660) is (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine.
What is the SMILES notation for (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine?
The canonical SMILES for (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine is C=C/C=C\CC[C@@H](C)C(=C)NCCC(C)C.
What is the InChIKey of (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine?
The InChIKey is INDVIEZIKCTUQY-WBTMPAOCSA-N. The full InChI is InChI=1S/C15H27N/c1-6-7-8-9-10-14(4)15(5)16-12-11-13(2)3/h6-8,13-14,16H,1,5,9-12H2,2-4H3/b8-7-/t14-/m1/s1.
What are the key properties of (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine?
(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine is sourced from PubChem (CID 153393660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).