N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine

C16H19N3 — CID 106776790

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
SMILESc1ccc2c(NC3CC3)ncc(CNC3CC3)c2c1
InChIInChI=1S/C16H19N3/c1-2-4-15-14(3-1)11(9-17-12-5-6-12)10-18-16(15)19-13-7-8-13/h1-4,10,12-13,17H,5-9H2,(H,18,19)
InChIKeyVHWTWGWBSFSQQB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.06
Rot. Bonds5

About N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine

N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine (PubChem CID 106776790) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
PubChem CID106776790
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
SMILESc1ccc2c(NC3CC3)ncc(CNC3CC3)c2c1
InChIInChI=1S/C16H19N3/c1-2-4-15-14(3-1)11(9-17-12-5-6-12)10-18-16(15)19-13-7-8-13/h1-4,10,12-13,17H,5-9H2,(H,18,19)
InChIKeyVHWTWGWBSFSQQB-UHFFFAOYSA-N
XLogP3.06
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776535
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
CID 53385527
N-(isoquinolin-4-ylmethyl)-1,1-dioxothian-4-amine
CID 104503849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine (CID 106776790) is N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine is c1ccc2c(NC3CC3)ncc(CNC3CC3)c2c1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine?
The InChIKey is VHWTWGWBSFSQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-4-15-14(3-1)11(9-17-12-5-6-12)10-18-16(15)19-13-7-8-13/h1-4,10,12-13,17H,5-9H2,(H,18,19).
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine?
N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine has a molecular weight of 253.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).