1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C16H29N — CID 112743271

IUPAC1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNC(C2CCC2)C2CCC2)CC1
InChIInChI=1S/C16H29N/c1-12(2)16(9-10-16)11-17-15(13-5-3-6-13)14-7-4-8-14/h12-15,17H,3-11H2,1-2H3
InChIKeySEYGFKWGQXXORE-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds6

About 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 112743271) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID112743271
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNC(C2CCC2)C2CCC2)CC1
InChIInChI=1S/C16H29N/c1-12(2)16(9-10-16)11-17-15(13-5-3-6-13)14-7-4-8-14/h12-15,17H,3-11H2,1-2H3
InChIKeySEYGFKWGQXXORE-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclopropyl-2-azaspiro(3.3)heptane hydrochloride
CID 119031662
3-tert-butyl-N-cyclopropylcyclobutan-1-amine hydrochloride
CID 121553319
1-Cyclobutyl-2-azaspiro[3.3]heptane
CID 130575054
1-Cyclopropyl-2-azaspiro[3.3]heptane
CID 119031663
3-tert-butyl-N-cyclopropylcyclobutan-1-amine
CID 80360797
7-Tert-butyl-2-methyl-azacyclododecane
CID 18705358
2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine
CID 58818506
N-[(2-hexyl-2-methylcyclopropyl)methyl]ethanamine
CID 62707989
N-[(3,3-dipropylcyclobutyl)methyl]propan-2-amine
CID 65005591
N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
CID 65009297
N-[(1-hexylcyclopropyl)methyl]propan-2-amine
CID 66024678
4-cyclopropyl-N-ethyl-2,4,5-trimethylheptan-3-amine
CID 68235813

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 112743271) is 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is CC(C)C1(CNC(C2CCC2)C2CCC2)CC1.
What is the InChIKey of 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is SEYGFKWGQXXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)16(9-10-16)11-17-15(13-5-3-6-13)14-7-4-8-14/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 112743271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).