N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine

C14H28N2 — CID 79842952

IUPACN-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)CCC1(N)CCC1
InChIInChI=1S/C14H28N2/c1-12-6-3-4-7-13(12)16(2)11-10-14(15)8-5-9-14/h12-13H,3-11,15H2,1-2H3
InChIKeyULCILFUSBJAJDG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine

N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 79842952) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID79842952
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)CCC1(N)CCC1
InChIInChI=1S/C14H28N2/c1-12-6-3-4-7-13(12)16(2)11-10-14(15)8-5-9-14/h12-13H,3-11,15H2,1-2H3
InChIKeyULCILFUSBJAJDG-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
1-[2-[cyclopentylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79841858
1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842509
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine
CID 79842260
2-(1-aminocyclopentyl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 64685881
4-[methyl-(2-methylcyclohexyl)amino]butanenitrile
CID 60967457
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260508
N-[(4-aminocyclohexyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55004478
N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63502047
2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
CID 63053076

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine (CID 79842952) is N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)CCC1(N)CCC1.
What is the InChIKey of N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is ULCILFUSBJAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-6-3-4-7-13(12)16(2)11-10-14(15)8-5-9-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine?
N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79842952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).