2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine

C17H34N2 — CID 79188224

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CC(C)C(C)C1
InChIInChI=1S/C17H34N2/c1-4-11-18-16-9-7-5-6-8-10-17(16)19-12-14(2)15(3)13-19/h14-18H,4-13H2,1-3H3
InChIKeyIHKMKXHSAZRARC-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine (PubChem CID 79188224) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
PubChem CID79188224
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1N1CC(C)C(C)C1
InChIInChI=1S/C17H34N2/c1-4-11-18-16-9-7-5-6-8-10-17(16)19-12-14(2)15(3)13-19/h14-18H,4-13H2,1-3H3
InChIKeyIHKMKXHSAZRARC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
CID 81465092
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537740
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine (CID 79188224) is 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine?
The InChIKey is IHKMKXHSAZRARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-18-16-9-7-5-6-8-10-17(16)19-12-14(2)15(3)13-19/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine is sourced from PubChem (CID 79188224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).