5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine

C17H34N2 — CID 79865020

IUPAC5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(N2CCCCCCC2)CCC1(C)C
InChIInChI=1S/C17H34N2/c1-4-12-18-16-15(10-11-17(16,2)3)19-13-8-6-5-7-9-14-19/h15-16,18H,4-14H2,1-3H3
InChIKeyRJZZEBCHEMGQLX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds4

About 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79865020) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79865020
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(N2CCCCCCC2)CCC1(C)C
InChIInChI=1S/C17H34N2/c1-4-12-18-16-15(10-11-17(16,2)3)19-13-8-6-5-7-9-14-19/h15-16,18H,4-14H2,1-3H3
InChIKeyRJZZEBCHEMGQLX-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79860162
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859592
2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 79835810
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826
2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79865651
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859927
N-ethyl-2,2-dimethyl-5-(4-propylpiperidin-1-yl)cyclopentan-1-amine
CID 79860145
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 104958323
5-(3,3-dimethylmorpholin-4-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859729

Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79865020) is 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(N2CCCCCCC2)CCC1(C)C.
What is the InChIKey of 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is RJZZEBCHEMGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-12-18-16-15(10-11-17(16,2)3)19-13-8-6-5-7-9-14-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79865020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).