1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine

C13H28N2 — CID 103562532

IUPAC1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCN(C)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-15(4)13(10-14)8-12(9-13)11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeyRHLOHBOLGOPHQG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine

1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562532) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562532
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCN(C)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-15(4)13(10-14)8-12(9-13)11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeyRHLOHBOLGOPHQG-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
1-(aminomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563172
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103562916
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 103562769
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine (CID 103562532) is 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine is CCCCN(C)C1(CN)CC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is RHLOHBOLGOPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-15(4)13(10-14)8-12(9-13)11(2)3/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).