(1-butylazepan-2-yl)methanamine

C11H24N2 — CID 116640391

IUPAC(1-butylazepan-2-yl)methanamine
SMILESCCCCN1CCCCCC1CN
InChIInChI=1S/C11H24N2/c1-2-3-8-13-9-6-4-5-7-11(13)10-12/h11H,2-10,12H2,1H3
InChIKeyYYTWGFSVGXZMHI-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds4

About (1-butylazepan-2-yl)methanamine

(1-butylazepan-2-yl)methanamine (PubChem CID 116640391) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (1-butylazepan-2-yl)methanamine.

Molecular Properties

Compound Name(1-butylazepan-2-yl)methanamine
PubChem CID116640391
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(1-butylazepan-2-yl)methanamine
SMILESCCCCN1CCCCCC1CN
InChIInChI=1S/C11H24N2/c1-2-3-8-13-9-6-4-5-7-11(13)10-12/h11H,2-10,12H2,1H3
InChIKeyYYTWGFSVGXZMHI-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-dodecylazepan-2-yl)methanamine
CID 116640397
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-pentyl-2-propylpiperidine
CID 54429991
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
1-dodecyl-2-ethylpiperidine
CID 171569899

Frequently Asked Questions

What is the IUPAC name of (1-butylazepan-2-yl)methanamine?
The IUPAC name of (1-butylazepan-2-yl)methanamine (CID 116640391) is (1-butylazepan-2-yl)methanamine.
What is the SMILES notation for (1-butylazepan-2-yl)methanamine?
The canonical SMILES for (1-butylazepan-2-yl)methanamine is CCCCN1CCCCCC1CN.
What is the InChIKey of (1-butylazepan-2-yl)methanamine?
The InChIKey is YYTWGFSVGXZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-8-13-9-6-4-5-7-11(13)10-12/h11H,2-10,12H2,1H3.
What are the key properties of (1-butylazepan-2-yl)methanamine?
(1-butylazepan-2-yl)methanamine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylazepan-2-yl)methanamine is sourced from PubChem (CID 116640391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).