N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine

C17H35N3 — CID 81465092

IUPACN,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
SMILESCCCNC1CCCCCC1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H35N3/c1-5-11-18-15-9-7-6-8-10-16(15)20-12-14(2)17(13-20)19(3)4/h14-18H,5-13H2,1-4H3
InChIKeyZAOXGVAUQLCFJH-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine (PubChem CID 81465092) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
PubChem CID81465092
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
SMILESCCCNC1CCCCCC1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H35N3/c1-5-11-18-15-9-7-6-8-10-16(15)20-12-14(2)17(13-20)19(3)4/h14-18H,5-13H2,1-4H3
InChIKeyZAOXGVAUQLCFJH-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
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-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452258
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

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine (CID 81465092) is N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine is CCCNC1CCCCCC1N1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine?
The InChIKey is ZAOXGVAUQLCFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-11-18-15-9-7-6-8-10-16(15)20-12-14(2)17(13-20)19(3)4/h14-18H,5-13H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine is sourced from PubChem (CID 81465092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).