1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine

C14H28N2 — CID 143682980

IUPAC1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC2CC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-11-8-12(9-11)10-16(3)14-6-4-13(15-2)5-7-14/h11-15H,4-10H2,1-3H3
InChIKeyRQSYWWVVZFSGCF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine (PubChem CID 143682980) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine
PubChem CID143682980
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC2CC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-11-8-12(9-11)10-16(3)14-6-4-13(15-2)5-7-14/h11-15H,4-10H2,1-3H3
InChIKeyRQSYWWVVZFSGCF-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
N-(cyclopropylmethyl)-N,3-dimethylcyclopentan-1-amine
CID 130920507
1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine
CID 79110999
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122136
4-N-but-2-ynyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111232
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
N,N-dimethyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122060

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine (CID 143682980) is 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)CC2CC(C)C2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is RQSYWWVVZFSGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-8-12(9-11)10-16(3)14-6-4-13(15-2)5-7-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(3-methylcyclobutyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 143682980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).