N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine

C12H24N2 — CID 77110311

IUPACN'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
SMILESCC1CCCC(N(C)CC=CCN)C1
InChIInChI=1S/C12H24N2/c1-11-6-5-7-12(10-11)14(2)9-4-3-8-13/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyRBAXCRCHXJBQQN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds4

About N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine

N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine (PubChem CID 77110311) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
PubChem CID77110311
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
SMILESCC1CCCC(N(C)CC=CCN)C1
InChIInChI=1S/C12H24N2/c1-11-6-5-7-12(10-11)14(2)9-4-3-8-13/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyRBAXCRCHXJBQQN-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
CID 131245731
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
2-methyl-4-[methyl-(3-methylcyclohexyl)amino]but-2-enoic acid
CID 77076199
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701764
N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
potassium trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701763
2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 63070803

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine (CID 77110311) is N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine is CC1CCCC(N(C)CC=CCN)C1.
What is the InChIKey of N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine?
The InChIKey is RBAXCRCHXJBQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-6-5-7-12(10-11)14(2)9-4-3-8-13/h3-4,11-12H,5-10,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine?
N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).