(4-tert-butylcycloheptyl)methanamine

C12H25N — CID 65089670

IUPAC(4-tert-butylcycloheptyl)methanamine
SMILESCC(C)(C)C1CCCC(CN)CC1
InChIInChI=1S/C12H25N/c1-12(2,3)11-6-4-5-10(9-13)7-8-11/h10-11H,4-9,13H2,1-3H3
InChIKeyBTJVYVKVQSDYHY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds1

About (4-tert-butylcycloheptyl)methanamine

(4-tert-butylcycloheptyl)methanamine (PubChem CID 65089670) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4-tert-butylcycloheptyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcycloheptyl)methanamine
PubChem CID65089670
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4-tert-butylcycloheptyl)methanamine
SMILESCC(C)(C)C1CCCC(CN)CC1
InChIInChI=1S/C12H25N/c1-12(2,3)11-6-4-5-10(9-13)7-8-11/h10-11H,4-9,13H2,1-3H3
InChIKeyBTJVYVKVQSDYHY-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcycloheptyl)methanamine?
The IUPAC name of (4-tert-butylcycloheptyl)methanamine (CID 65089670) is (4-tert-butylcycloheptyl)methanamine.
What is the SMILES notation for (4-tert-butylcycloheptyl)methanamine?
The canonical SMILES for (4-tert-butylcycloheptyl)methanamine is CC(C)(C)C1CCCC(CN)CC1.
What is the InChIKey of (4-tert-butylcycloheptyl)methanamine?
The InChIKey is BTJVYVKVQSDYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)11-6-4-5-10(9-13)7-8-11/h10-11H,4-9,13H2,1-3H3.
What are the key properties of (4-tert-butylcycloheptyl)methanamine?
(4-tert-butylcycloheptyl)methanamine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcycloheptyl)methanamine is sourced from PubChem (CID 65089670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).