4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine

C17H23N3 — CID 106775573

IUPAC4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(CC1CC1)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H23N3/c1-2-9-20(12-13-7-8-13)17-16-6-4-3-5-15(16)14(10-18)11-19-17/h3-6,11,13H,2,7-10,12,18H2,1H3
InChIKeyXLGVWQBMNKFCTR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.32
Rot. Bonds6

About 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine

4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine (PubChem CID 106775573) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
PubChem CID106775573
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(CC1CC1)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H23N3/c1-2-9-20(12-13-7-8-13)17-16-6-4-3-5-15(16)14(10-18)11-19-17/h3-6,11,13H,2,7-10,12,18H2,1H3
InChIKeyXLGVWQBMNKFCTR-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 43587118
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine
CID 58326555
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine (CID 106775573) is 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine is CCCN(CC1CC1)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine?
The InChIKey is XLGVWQBMNKFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-9-20(12-13-7-8-13)17-16-6-4-3-5-15(16)14(10-18)11-19-17/h3-6,11,13H,2,7-10,12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine?
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine is sourced from PubChem (CID 106775573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).