N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

C14H28N2 — CID 103071030

IUPACN-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C14H28N2/c1-12(10-15-4)11-16(5)13-6-8-14(2,3)9-7-13/h13,15H,1,6-11H2,2-5H3
InChIKeyKNBGZIBLPWODON-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (PubChem CID 103071030) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
PubChem CID103071030
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C14H28N2/c1-12(10-15-4)11-16(5)13-6-8-14(2,3)9-7-13/h13,15H,1,6-11H2,2-5H3
InChIKeyKNBGZIBLPWODON-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 103068902
N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070368
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
1-[[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]methyl]cyclopentan-1-ol
CID 103071409
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
CID 103070697
2-[(3,3-dimethylcyclopentyl)-methylamino]acetamide
CID 131106276
N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 130667135
N-cyclopropyl-N'-methyl-N'-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diamine
CID 103070072
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069495
4,4-dimethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66047133

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (CID 103071030) is N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(C)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The InChIKey is KNBGZIBLPWODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(10-15-4)11-16(5)13-6-8-14(2,3)9-7-13/h13,15H,1,6-11H2,2-5H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103071030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).