N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine

C14H28N2 — CID 79070855

IUPACN,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
SMILESC=CCC(NCCC)C1(N(C)C)CCCC1
InChIInChI=1S/C14H28N2/c1-5-9-13(15-12-6-2)14(16(3)4)10-7-8-11-14/h5,13,15H,1,6-12H2,2-4H3
InChIKeyFLHKUHVISQETPF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

About N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine

N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine (PubChem CID 79070855) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
PubChem CID79070855
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
SMILESC=CCC(NCCC)C1(N(C)C)CCCC1
InChIInChI=1S/C14H28N2/c1-5-9-13(15-12-6-2)14(16(3)4)10-7-8-11-14/h5,13,15H,1,6-12H2,2-4H3
InChIKeyFLHKUHVISQETPF-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
CID 79081392
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cyclopentan-1-amine
CID 79069925
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79081393
1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79570214
N,N-dimethyl-1-[2-propan-2-yloxy-1-(propylamino)ethyl]cycloheptan-1-amine
CID 79570086
1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 79067056
N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
CID 79063262
1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 103035868
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79445008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine (CID 79070855) is N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine is C=CCC(NCCC)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine?
The InChIKey is FLHKUHVISQETPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-9-13(15-12-6-2)14(16(3)4)10-7-8-11-14/h5,13,15H,1,6-12H2,2-4H3.
What are the key properties of N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine?
N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine is sourced from PubChem (CID 79070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).