N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine

C17H29N3 — CID 115860311

IUPACN-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H29N3/c1-4-9-20-16(15-13-18-10-11-19-15)17(12-14(2)3)7-5-6-8-17/h10-11,13-14,16,20H,4-9,12H2,1-3H3
InChIKeyOICSFSOAXUGCJW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds7

About N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine

N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 115860311) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID115860311
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H29N3/c1-4-9-20-16(15-13-18-10-11-19-15)17(12-14(2)3)7-5-6-8-17/h10-11,13-14,16,20H,4-9,12H2,1-3H3
InChIKeyOICSFSOAXUGCJW-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine (CID 115860311) is N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is OICSFSOAXUGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-20-16(15-13-18-10-11-19-15)17(12-14(2)3)7-5-6-8-17/h10-11,13-14,16,20H,4-9,12H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine?
N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 115860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).