N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine

C8H15N — CID 163863928

IUPACN-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine
SMILESCNC1C2C(C(C)C)C12
InChIInChI=1S/C8H15N/c1-4(2)5-6-7(5)8(6)9-3/h4-9H,1-3H3
InChIKeyPEYOQXCULJVDIH-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.11
Rot. Bonds2

About N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine

N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine (PubChem CID 163863928) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine
PubChem CID163863928
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine
SMILESCNC1C2C(C(C)C)C12
InChIInChI=1S/C8H15N/c1-4(2)5-6-7(5)8(6)9-3/h4-9H,1-3H3
InChIKeyPEYOQXCULJVDIH-UHFFFAOYSA-N
XLogP1.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-7-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-amine
CID 146214574
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
CID 153452162
N,3-dimethyl-2-propan-2-ylcyclopentan-1-amine
CID 123913499
(1R,2R,4R,5S)-3-propan-2-yl-6,7-dioxatricyclo[3.2.2.02,4]non-8-ene
CID 134993268
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
N-methyl-1-(2-methyl-3-propan-2-ylcyclopropyl)methanamine
CID 164726358
(1S,2R,4S,5R)-6-propan-2-ylcyclohexane-1,2,3,4,5-pentol
CID 171442655
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
2-methyl-3-propan-2-ylcyclopropane-1-thiol
CID 123473140
N,1,2,4-tetramethylazetidin-3-amine
CID 59421630
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
N-methyltricyclo[3.1.1.03,6]heptan-2-amine
CID 59248622

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine?
The IUPAC name of N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine (CID 163863928) is N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine?
The canonical SMILES for N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine is CNC1C2C(C(C)C)C12.
What is the InChIKey of N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine?
The InChIKey is PEYOQXCULJVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4(2)5-6-7(5)8(6)9-3/h4-9H,1-3H3.
What are the key properties of N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine?
N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-ylbicyclo[1.1.0]butan-2-amine is sourced from PubChem (CID 163863928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).