N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine

C13H24N2 — CID 79070298

IUPACN,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine
SMILESC#CCCC(NC)C1(N(C)C)CCCC1
InChIInChI=1S/C13H24N2/c1-5-6-9-12(14-2)13(15(3)4)10-7-8-11-13/h1,12,14H,6-11H2,2-4H3
InChIKeyAEMXDANZWZTHLJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds5

About N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine

N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine (PubChem CID 79070298) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine
PubChem CID79070298
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine
SMILESC#CCCC(NC)C1(N(C)C)CCCC1
InChIInChI=1S/C13H24N2/c1-5-6-9-12(14-2)13(15(3)4)10-7-8-11-13/h1,12,14H,6-11H2,2-4H3
InChIKeyAEMXDANZWZTHLJ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[4-methyl-1-(methylamino)pentyl]cyclopentan-1-amine
CID 79070834
N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
CID 113374361
N,N-dimethyl-1-[1-(methylamino)hex-5-enyl]cyclopentan-1-amine
CID 79069765
N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
CID 79066675
1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine
CID 103035876
N,N-diethyl-1-[1-(propylamino)pent-4-ynyl]cyclopentan-1-amine
CID 79070274
1-[2-ethoxy-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79570777
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
CID 79074998
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
CID 79080663
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine (CID 79070298) is N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine is C#CCCC(NC)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine?
The InChIKey is AEMXDANZWZTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-6-9-12(14-2)13(15(3)4)10-7-8-11-13/h1,12,14H,6-11H2,2-4H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine?
N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 5 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-(methylamino)pent-4-ynyl]cyclopentan-1-amine is sourced from PubChem (CID 79070298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).