[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine

C18H37N3 — CID 65091150

IUPAC[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCCN1CCN(C2(CN)CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-10-20-11-13-21(14-12-20)18(15-19)8-5-6-17(7-9-18)16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyXRYBLBVHLWCWAK-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.95
Rot. Bonds5

About [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine

[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine (PubChem CID 65091150) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
PubChem CID65091150
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCCN1CCN(C2(CN)CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-10-20-11-13-21(14-12-20)18(15-19)8-5-6-17(7-9-18)16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyXRYBLBVHLWCWAK-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine (CID 65091150) is [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine is CCCN1CCN(C2(CN)CCCC(C(C)C)CC2)CC1.
What is the InChIKey of [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine?
The InChIKey is XRYBLBVHLWCWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-10-20-11-13-21(14-12-20)18(15-19)8-5-6-17(7-9-18)16(2)3/h16-17H,4-15,19H2,1-3H3.
What are the key properties of [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine?
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine has a molecular weight of 295.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 65091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).