4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine

C16H21N3 — CID 103963106

IUPAC4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
SMILESCC(C)N(CC1CC1)c1c(N)cnc2ccccc12
InChIInChI=1S/C16H21N3/c1-11(2)19(10-12-7-8-12)16-13-5-3-4-6-15(13)18-9-14(16)17/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyMBPDSDBFBOGPBL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.44
Rot. Bonds4

About 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine

4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine (PubChem CID 103963106) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
PubChem CID103963106
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
SMILESCC(C)N(CC1CC1)c1c(N)cnc2ccccc12
InChIInChI=1S/C16H21N3/c1-11(2)19(10-12-7-8-12)16-13-5-3-4-6-15(13)18-9-14(16)17/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyMBPDSDBFBOGPBL-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)quinoline-3,4-diamine
CID 103963108
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
CID 62476660
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80905482
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
CID 63885853
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
N-(piperidin-4-ylmethyl)-N-propan-2-ylquinoxalin-2-amine
CID 79705201
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine (CID 103963106) is 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine is CC(C)N(CC1CC1)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine?
The InChIKey is MBPDSDBFBOGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)19(10-12-7-8-12)16-13-5-3-4-6-15(13)18-9-14(16)17/h3-6,9,11-12H,7-8,10,17H2,1-2H3.
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine?
4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine is sourced from PubChem (CID 103963106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).