N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine

C16H34N2 — CID 79069888

IUPACN,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine
SMILESCCCNC(C(C)C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H34N2/c1-6-13-17-15(14(4)5)16(11-9-10-12-16)18(7-2)8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyPHGAXXBJWKHCKQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine

N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine (PubChem CID 79069888) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine
PubChem CID79069888
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine
SMILESCCCNC(C(C)C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H34N2/c1-6-13-17-15(14(4)5)16(11-9-10-12-16)18(7-2)8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyPHGAXXBJWKHCKQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine (CID 79069888) is N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine is CCCNC(C(C)C)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine?
The InChIKey is PHGAXXBJWKHCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-13-17-15(14(4)5)16(11-9-10-12-16)18(7-2)8-3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine?
N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 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-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine is sourced from PubChem (CID 79069888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).