1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine

C15H30N2O — CID 114119727

IUPAC1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCOC1CC(NCC2(N)CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-11-6-5-7-15(16,9-11)10-17-12-8-13(18-4)14(12,2)3/h11-13,17H,5-10,16H2,1-4H3
InChIKeyMEAZCAQIKSMQIF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.30
Rot. Bonds4

About 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine

1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine (PubChem CID 114119727) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine
PubChem CID114119727
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCOC1CC(NCC2(N)CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H30N2O/c1-11-6-5-7-15(16,9-11)10-17-12-8-13(18-4)14(12,2)3/h11-13,17H,5-10,16H2,1-4H3
InChIKeyMEAZCAQIKSMQIF-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 114547425
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
CID 114119731
1-(3-ethoxypropyl)-3-methylcyclohexan-1-amine
CID 65419842
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568920
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 79224377

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine (CID 114119727) is 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine is COC1CC(NCC2(N)CCCC(C)C2)C1(C)C.
What is the InChIKey of 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is MEAZCAQIKSMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-6-5-7-15(16,9-11)10-17-12-8-13(18-4)14(12,2)3/h11-13,17H,5-10,16H2,1-4H3.
What are the key properties of 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine?
1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 114119727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).