N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine

C17H32N2 — CID 79069965

IUPACN,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine
SMILESCC#CCC(NCCC)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H32N2/c1-5-9-12-16(18-15-6-2)17(13-10-11-14-17)19(7-3)8-4/h16,18H,6-8,10-15H2,1-4H3
InChIKeyBYPPEVSMEPPRRP-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds8

About N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine

N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine (PubChem CID 79069965) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine
PubChem CID79069965
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine
SMILESCC#CCC(NCCC)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H32N2/c1-5-9-12-16(18-15-6-2)17(13-10-11-14-17)19(7-3)8-4/h16,18H,6-8,10-15H2,1-4H3
InChIKeyBYPPEVSMEPPRRP-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine (CID 79069965) is N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine is CC#CCC(NCCC)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine?
The InChIKey is BYPPEVSMEPPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-9-12-16(18-15-6-2)17(13-10-11-14-17)19(7-3)8-4/h16,18H,6-8,10-15H2,1-4H3.
What are the key properties of N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine?
N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(propylamino)pent-3-ynyl]cyclopentan-1-amine is sourced from PubChem (CID 79069965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).