2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine

C12H25N — CID 79353394

IUPAC2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine
SMILESCC(C)CCNC1C(C)(C)C1(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-8-13-10-11(3,4)12(10,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyLLIBAWQYISLVDP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine

2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine (PubChem CID 79353394) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine
PubChem CID79353394
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine
SMILESCC(C)CCNC1C(C)(C)C1(C)C
InChIInChI=1S/C12H25N/c1-9(2)7-8-13-10-11(3,4)12(10,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyLLIBAWQYISLVDP-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine (CID 79353394) is 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine is CC(C)CCNC1C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine?
The InChIKey is LLIBAWQYISLVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)7-8-13-10-11(3,4)12(10,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(3-methylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 79353394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).