methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide

C16H28N- — CID 163149049

IUPACmethyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide
SMILESC=C(CCC=C(C)C)C1CCC(C)([N-]C)CC1
InChIInChI=1S/C16H28N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h7,15H,3,6,8-12H2,1-2,4-5H3/q-1
InChIKeyNWCWONFABSMMKM-UHFFFAOYSA-N
MW234.41 g/mol
LogP5.24
Rot. Bonds5

About methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide

methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide (PubChem CID 163149049) has the molecular formula C16H28N- and a molecular weight of 234.41 g/mol. Its IUPAC name is methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide.

Molecular Properties

Compound Namemethyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide
PubChem CID163149049
Molecular FormulaC16H28N-
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Namemethyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide
SMILESC=C(CCC=C(C)C)C1CCC(C)([N-]C)CC1
InChIInChI=1S/C16H28N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h7,15H,3,6,8-12H2,1-2,4-5H3/q-1
InChIKeyNWCWONFABSMMKM-UHFFFAOYSA-N
XLogP5.24
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 527060
1-ethenyl-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-2-prop-1-en-2-ylcyclohexane
CID 163061333
(3R,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 71569019
(1R,3aS,4S,7R,8aR)-1,4-dimethyl-7-(6-methylhepta-1,5-dien-2-yl)-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
CID 162846564
4,8a-dimethyl-6-(6-methylhepta-1,5-dien-2-yl)-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 75220675
3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
CID 527420
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
[(1S,4Z,8E,12S)-5,9-dimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-4,8-dien-1-yl]methanol
CID 162989808
4,5-dicyclohexyl-2-[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-1,3-dioxolane
CID 70136776
2,3,4-trihydroxy-3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 72751231
(1S,2R,3R,5R,6R,7R,8R)-2,8-dimethyl-5-(6-methylhepta-1,5-dien-2-yl)tricyclo[5.3.0.02,6]decan-3-ol
CID 11022554
(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
CID 162905191

Frequently Asked Questions

What is the IUPAC name of methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide?
The IUPAC name of methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide (CID 163149049) is methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide.
What is the SMILES notation for methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide?
The canonical SMILES for methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide is C=C(CCC=C(C)C)C1CCC(C)([N-]C)CC1.
What is the InChIKey of methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide?
The InChIKey is NWCWONFABSMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h7,15H,3,6,8-12H2,1-2,4-5H3/q-1.
What are the key properties of methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide?
methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide has a molecular weight of 234.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide is sourced from PubChem (CID 163149049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).