(1-tert-butylazepan-3-yl)methanamine

C11H24N2 — CID 84659780

IUPAC(1-tert-butylazepan-3-yl)methanamine
SMILESCC(C)(C)N1CCCCC(CN)C1
InChIInChI=1S/C11H24N2/c1-11(2,3)13-7-5-4-6-10(8-12)9-13/h10H,4-9,12H2,1-3H3
InChIKeyDJQCFQHJRHCIJH-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds1

About (1-tert-butylazepan-3-yl)methanamine

(1-tert-butylazepan-3-yl)methanamine (PubChem CID 84659780) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (1-tert-butylazepan-3-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butylazepan-3-yl)methanamine
PubChem CID84659780
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(1-tert-butylazepan-3-yl)methanamine
SMILESCC(C)(C)N1CCCCC(CN)C1
InChIInChI=1S/C11H24N2/c1-11(2,3)13-7-5-4-6-10(8-12)9-13/h10H,4-9,12H2,1-3H3
InChIKeyDJQCFQHJRHCIJH-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylazepan-3-yl)methanamine?
The IUPAC name of (1-tert-butylazepan-3-yl)methanamine (CID 84659780) is (1-tert-butylazepan-3-yl)methanamine.
What is the SMILES notation for (1-tert-butylazepan-3-yl)methanamine?
The canonical SMILES for (1-tert-butylazepan-3-yl)methanamine is CC(C)(C)N1CCCCC(CN)C1.
What is the InChIKey of (1-tert-butylazepan-3-yl)methanamine?
The InChIKey is DJQCFQHJRHCIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,3)13-7-5-4-6-10(8-12)9-13/h10H,4-9,12H2,1-3H3.
What are the key properties of (1-tert-butylazepan-3-yl)methanamine?
(1-tert-butylazepan-3-yl)methanamine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylazepan-3-yl)methanamine is sourced from PubChem (CID 84659780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).