N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine

C16H22N4 — CID 106619114

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
SMILESCC(C)N(CC1CCCN1)c1cnnc2ccccc12
InChIInChI=1S/C16H22N4/c1-12(2)20(11-13-6-5-9-17-13)16-10-18-19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12-13,17H,5-6,9,11H2,1-2H3
InChIKeyVXBXEYSACAKIGG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.60
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine (PubChem CID 106619114) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
PubChem CID106619114
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
SMILESCC(C)N(CC1CCCN1)c1cnnc2ccccc12
InChIInChI=1S/C16H22N4/c1-12(2)20(11-13-6-5-9-17-13)16-10-18-19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12-13,17H,5-6,9,11H2,1-2H3
InChIKeyVXBXEYSACAKIGG-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
3-[cinnolin-4-yl(propan-2-yl)amino]propanenitrile
CID 55212208
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 106619125
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618884
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine (CID 106619114) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine is CC(C)N(CC1CCCN1)c1cnnc2ccccc12.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine?
The InChIKey is VXBXEYSACAKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)20(11-13-6-5-9-17-13)16-10-18-19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12-13,17H,5-6,9,11H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine is sourced from PubChem (CID 106619114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).