[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine

C17H35N3 — CID 103351961

IUPAC[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCCN(C(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H35N3/c1-4-15-7-11-20(17(12-15)13-18)16-6-5-9-19(10-8-16)14(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyDYJQLKSPZBVJPU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds4

About [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine

[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine (PubChem CID 103351961) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
PubChem CID103351961
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCCN(C(C)C)CC2)C(CN)C1
InChIInChI=1S/C17H35N3/c1-4-15-7-11-20(17(12-15)13-18)16-6-5-9-19(10-8-16)14(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyDYJQLKSPZBVJPU-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine (CID 103351961) is [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine is CCC1CCN(C2CCCN(C(C)C)CC2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
The InChIKey is DYJQLKSPZBVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-15-7-11-20(17(12-15)13-18)16-6-5-9-19(10-8-16)14(2)3/h14-17H,4-13,18H2,1-3H3.
What are the key properties of [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine?
[4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103351961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).