N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine

C16H31N3 — CID 115717762

IUPACN'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
SMILESCC1CC(NCCN(C)C2CCCC2)CN1C1CC1
InChIInChI=1S/C16H31N3/c1-13-11-14(12-19(13)16-7-8-16)17-9-10-18(2)15-5-3-4-6-15/h13-17H,3-12H2,1-2H3
InChIKeyLRMBWURQMJHHOF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds6

About N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine (PubChem CID 115717762) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
PubChem CID115717762
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
SMILESCC1CC(NCCN(C)C2CCCC2)CN1C1CC1
InChIInChI=1S/C16H31N3/c1-13-11-14(12-19(13)16-7-8-16)17-9-10-18(2)15-5-3-4-6-15/h13-17H,3-12H2,1-2H3
InChIKeyLRMBWURQMJHHOF-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine (CID 115717762) is N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine is CC1CC(NCCN(C)C2CCCC2)CN1C1CC1.
What is the InChIKey of N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine?
The InChIKey is LRMBWURQMJHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13-11-14(12-19(13)16-7-8-16)17-9-10-18(2)15-5-3-4-6-15/h13-17H,3-12H2,1-2H3.
What are the key properties of N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115717762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).