N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine

C18H30N2 — CID 79069984

IUPACN,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
SMILESCCCc1ccc(C(NC)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-5-8-15-9-11-16(12-10-15)17(19-2)18(20(3)4)13-6-7-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKeyACOHZYSODKGZBY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds6

About N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine

N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine (PubChem CID 79069984) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
PubChem CID79069984
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
SMILESCCCc1ccc(C(NC)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-5-8-15-9-11-16(12-10-15)17(19-2)18(20(3)4)13-6-7-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKeyACOHZYSODKGZBY-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79067030
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
CID 116958870
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
CID 79070190
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine (CID 79069984) is N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine is CCCc1ccc(C(NC)C2(N(C)C)CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is ACOHZYSODKGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-8-15-9-11-16(12-10-15)17(19-2)18(20(3)4)13-6-7-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79069984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).