1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine

C14H28N2 — CID 104575657

IUPAC1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
SMILESCC(C)(C)C1CCC(CN2CC(N)C2)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)12-6-4-11(5-7-12)8-16-9-13(15)10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyXZGIPIYSOCPPBV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds2

About 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine

1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine (PubChem CID 104575657) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
PubChem CID104575657
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
SMILESCC(C)(C)C1CCC(CN2CC(N)C2)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)12-6-4-11(5-7-12)8-16-9-13(15)10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyXZGIPIYSOCPPBV-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine (CID 104575657) is 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine is CC(C)(C)C1CCC(CN2CC(N)C2)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine?
The InChIKey is XZGIPIYSOCPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)12-6-4-11(5-7-12)8-16-9-13(15)10-16/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine?
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine is sourced from PubChem (CID 104575657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).