4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine

C24H52N4 — CID 160976846

IUPAC4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1.CC1CCC(N)CC1.CN(C)C1CCC(N)CC1
InChIInChI=1S/C9H19N.C8H18N2.C7H15N/c1-8-4-6-9(7-5-8)10(2)3;1-10(2)8-5-3-7(9)4-6-8;1-6-2-4-7(8)5-3-6/h8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3
InChIKeySYZFOOIVYBXQID-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.47
Rot. Bonds2

About 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine

4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine (PubChem CID 160976846) has the molecular formula C24H52N4 and a molecular weight of 396.71 g/mol. Its IUPAC name is 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
PubChem CID160976846
Molecular FormulaC24H52N4
Molecular Weight396.71 g/mol
Exact Mass396.42
IUPAC Name4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1.CC1CCC(N)CC1.CN(C)C1CCC(N)CC1
InChIInChI=1S/C9H19N.C8H18N2.C7H15N/c1-8-4-6-9(7-5-8)10(2)3;1-10(2)8-5-3-7(9)4-6-8;1-6-2-4-7(8)5-3-6/h8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3
InChIKeySYZFOOIVYBXQID-UHFFFAOYSA-N
XLogP4.47
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-N,4-N-bis(cyclohexylmethyl)cyclohexane-1,4-diamine
CID 78596
1-N,4-N-bis(2-cyclohexylethyl)cyclohexane-1,4-diamine
CID 78616
4-methyl-N-[[4-[[(4-methylcyclohexyl)amino]methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 116179
4-[(Dicyclohexylamino)methyl]cyclohexan-1-amine
CID 17779153
1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
CID 20501199
4-[3-Cyclohexyl-3-(dimethylamino)propyl]cyclohexan-1-amine
CID 57118037
[2-(4-Aminocyclohexyl)ethyl]dicyclohexylamine
CID 57911266
N',N'-bis(2-amino-2-cyclohexylethyl)-1-cyclohexylethane-1,2-diamine
CID 70117407
(1S)-N',1-dicyclohexyl-N'-methylbutane-1,4-diamine
CID 70225395
4-N-ethyl-4-N-[(4-methylcyclohexyl)methyl]cyclohexane-1,4-diamine
CID 79115584
4-[(dimethylamino)methyl]-N-[4-[(dimethylamino)methyl]cyclohexyl]cyclohexan-1-amine
CID 89705391
2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine
CID 90844905

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine (CID 160976846) is 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine is CC1CCC(N(C)C)CC1.CC1CCC(N)CC1.CN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is SYZFOOIVYBXQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.C7H15N/c1-8-4-6-9(7-5-8)10(2)3;1-10(2)8-5-3-7(9)4-6-8;1-6-2-4-7(8)5-3-6/h8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3.
What are the key properties of 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine?
4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 396.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 160976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).