N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine

C11H23N — CID 64999747

IUPACN-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)C1
InChIInChI=1S/C11H23N/c1-4-10-5-11(6-10)8-12-7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyHKPXWEVEIWTJNM-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds5

About N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine

N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine (PubChem CID 64999747) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
PubChem CID64999747
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)C1
InChIInChI=1S/C11H23N/c1-4-10-5-11(6-10)8-12-7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyHKPXWEVEIWTJNM-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
4-[(2-methylpropylamino)methyl]azetidin-2-ol
CID 134240498
N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
CID 114229867
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
2-methyl-N-[[2-(2-methylpropyl)cyclopropyl]methyl]propan-1-amine
CID 62713714

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine (CID 64999747) is N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine is CCC1CC(CNCC(C)C)C1.
What is the InChIKey of N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine?
The InChIKey is HKPXWEVEIWTJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10-5-11(6-10)8-12-7-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine?
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64999747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).