1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C18H27N3 — CID 107037727

IUPAC1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1ccc2cnccc2c1)N(C)C
InChIInChI=1S/C18H27N3/c1-14(2)9-18(21(3)4)13-20-11-15-5-6-17-12-19-8-7-16(17)10-15/h5-8,10,12,14,18,20H,9,11,13H2,1-4H3
InChIKeyRHDAFHHWKMXUGD-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.30
Rot. Bonds7

About 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 107037727) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID107037727
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1ccc2cnccc2c1)N(C)C
InChIInChI=1S/C18H27N3/c1-14(2)9-18(21(3)4)13-20-11-15-5-6-17-12-19-8-7-16(17)10-15/h5-8,10,12,14,18,20H,9,11,13H2,1-4H3
InChIKeyRHDAFHHWKMXUGD-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
CID 107038561
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine
CID 62761622
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
3-(isoquinolin-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 107038893
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
1-N-(isoquinolin-6-ylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 107037855
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107038834

Frequently Asked Questions

What is the IUPAC name of 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 107037727) is 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNCc1ccc2cnccc2c1)N(C)C.
What is the InChIKey of 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is RHDAFHHWKMXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)9-18(21(3)4)13-20-11-15-5-6-17-12-19-8-7-16(17)10-15/h5-8,10,12,14,18,20H,9,11,13H2,1-4H3.
What are the key properties of 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 107037727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).