(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine

C16H31N — CID 167244985

IUPAC(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine
SMILESC=C(C)CCCC/C=C\CCNCCC(C)C
InChIInChI=1S/C16H31N/c1-15(2)11-9-7-5-6-8-10-13-17-14-12-16(3)4/h6,8,16-17H,1,5,7,9-14H2,2-4H3/b8-6-
InChIKeyQRSRKCYKBLTZNH-VURMDHGXSA-N
MW237.43 g/mol
LogP4.70
Rot. Bonds11

About (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine

(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine (PubChem CID 167244985) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine.

Molecular Properties

Compound Name(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine
PubChem CID167244985
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine
SMILESC=C(C)CCCC/C=C\CCNCCC(C)C
InChIInChI=1S/C16H31N/c1-15(2)11-9-7-5-6-8-10-13-17-14-12-16(3)4/h6,8,16-17H,1,5,7,9-14H2,2-4H3/b8-6-
InChIKeyQRSRKCYKBLTZNH-VURMDHGXSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.70
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

(7E)-2-methylnona-1,7-diene
CID 23197153
(3E)-7-methyl-N-propylocta-3,7-dien-1-amine
CID 114477529
(9E)-2,17-dimethyl-12-(5-methylhex-1-en-2-yl)-14-methylideneoctadeca-1,9-diene
CID 140597740
(Z)-8-methyl-N-(3-methylbutyl)dec-8-en-1-amine
CID 129226179
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
2,3,8-trimethylnona-1,8-diene
CID 155711646
2-methylundeca-1,6-diene
CID 173154459
(12E,16Z)-17-methanimidoyl-23-methyl-22-methylidene-N-(8-methylnon-8-enyl)heptacosa-12,16-dien-1-amine
CID 146337044
10-methylundeca-6,10-dienoic acid
CID 163214310
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952

Frequently Asked Questions

What is the IUPAC name of (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine?
The IUPAC name of (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine (CID 167244985) is (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine.
What is the SMILES notation for (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine?
The canonical SMILES for (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine is C=C(C)CCCC/C=C\CCNCCC(C)C.
What is the InChIKey of (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine?
The InChIKey is QRSRKCYKBLTZNH-VURMDHGXSA-N. The full InChI is InChI=1S/C16H31N/c1-15(2)11-9-7-5-6-8-10-13-17-14-12-16(3)4/h6,8,16-17H,1,5,7,9-14H2,2-4H3/b8-6-.
What are the key properties of (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine?
(3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.70, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-9-methyl-N-(3-methylbutyl)deca-3,9-dien-1-amine is sourced from PubChem (CID 167244985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).