3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine

C17H33N — CID 107448605

IUPAC3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C17H33N/c1-12(2)13-8-7-9-14(10-13)18-11-15-16(3,4)17(15,5)6/h12-15,18H,7-11H2,1-6H3
InChIKeyWVZDPKKBIQFJSD-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.47
Rot. Bonds4

About 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine

3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 107448605) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID107448605
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C17H33N/c1-12(2)13-8-7-9-14(10-13)18-11-15-16(3,4)17(15,5)6/h12-15,18H,7-11H2,1-6H3
InChIKeyWVZDPKKBIQFJSD-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine (CID 107448605) is 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine is CC(C)C1CCCC(NCC2C(C)(C)C2(C)C)C1.
What is the InChIKey of 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is WVZDPKKBIQFJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12(2)13-8-7-9-14(10-13)18-11-15-16(3,4)17(15,5)6/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107448605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).