N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine

C17H23N3 — CID 106619613

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
SMILESCCCN(CC1CCCN1)c1nccc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-12-20(13-15-7-5-10-18-15)17-16-8-4-3-6-14(16)9-11-19-17/h3-4,6,8-9,11,15,18H,2,5,7,10,12-13H2,1H3
InChIKeyWGWKUCHZVQSEDX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.20
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine (PubChem CID 106619613) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
PubChem CID106619613
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
SMILESCCCN(CC1CCCN1)c1nccc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-12-20(13-15-7-5-10-18-15)17-16-8-4-3-6-14(16)9-11-19-17/h3-4,6,8-9,11,15,18H,2,5,7,10,12-13H2,1H3
InChIKeyWGWKUCHZVQSEDX-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106619625
1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol
CID 106619450
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N-(piperidin-2-ylmethyl)-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 106642414
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
1-cyclopropyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106619895
2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
CID 106621399
N-propyl-N-(pyrrolidin-2-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 106619672
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine (CID 106619613) is N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine is CCCN(CC1CCCN1)c1nccc2ccccc12.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The InChIKey is WGWKUCHZVQSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-12-20(13-15-7-5-10-18-15)17-16-8-4-3-6-14(16)9-11-19-17/h3-4,6,8-9,11,15,18H,2,5,7,10,12-13H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 106619613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).