1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine

C17H30N2 — CID 90938925

IUPAC1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine
SMILESCCCC1CC(C(C)C)N(C(C)C)C2N=CC=CC12
InChIInChI=1S/C17H30N2/c1-6-8-14-11-16(12(2)3)19(13(4)5)17-15(14)9-7-10-18-17/h7,9-10,12-17H,6,8,11H2,1-5H3
InChIKeyGARSCLJLUVUMKJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.12
Rot. Bonds4

About 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine

1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine (PubChem CID 90938925) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine
PubChem CID90938925
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine
SMILESCCCC1CC(C(C)C)N(C(C)C)C2N=CC=CC12
InChIInChI=1S/C17H30N2/c1-6-8-14-11-16(12(2)3)19(13(4)5)17-15(14)9-7-10-18-17/h7,9-10,12-17H,6,8,11H2,1-5H3
InChIKeyGARSCLJLUVUMKJ-UHFFFAOYSA-N
XLogP4.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine with MolForge

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Related Compounds

3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
N,N-dipropyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57051311
N,N-dimethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57065637
N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57070888
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 57199660
N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57231845
[6-Ethyl-2-[1-(5-methylhexan-2-yl)piperidin-4-yl]cyclohex-3-en-1-ylidene]cyanamide
CID 141065261

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine?
The IUPAC name of 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine (CID 90938925) is 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine?
The canonical SMILES for 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine is CCCC1CC(C(C)C)N(C(C)C)C2N=CC=CC12.
What is the InChIKey of 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine?
The InChIKey is GARSCLJLUVUMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-14-11-16(12(2)3)19(13(4)5)17-15(14)9-7-10-18-17/h7,9-10,12-17H,6,8,11H2,1-5H3.
What are the key properties of 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine?
1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine has a molecular weight of 262.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-4-propyl-3,4,4a,8a-tetrahydro-2H-1,8-naphthyridine is sourced from PubChem (CID 90938925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).