N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine

C19H30N4Sn — CID 162433618

IUPACN-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1
InChIInChI=1S/C16H21N4.3CH3.Sn/c1-16(2,3)19-12-8-10-20(11-12)15-7-6-13-14(18-15)5-4-9-17-13;;;;/h4-7,12,19H,8,10-11H2,1-3H3;3*1H3;
InChIKeyQWQJBINLXXULCF-UHFFFAOYSA-N
MW433.19 g/mol
LogP3.14
Rot. Bonds3

About N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine

N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine (PubChem CID 162433618) has the molecular formula C19H30N4Sn and a molecular weight of 433.19 g/mol. Its IUPAC name is N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine
PubChem CID162433618
Molecular FormulaC19H30N4Sn
Molecular Weight433.19 g/mol
Exact Mass434.15
IUPAC NameN-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine
SMILESCC(C)(C)NC1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1
InChIInChI=1S/C16H21N4.3CH3.Sn/c1-16(2,3)19-12-8-10-20(11-12)15-7-6-13-14(18-15)5-4-9-17-13;;;;/h4-7,12,19H,8,10-11H2,1-3H3;3*1H3;
InChIKeyQWQJBINLXXULCF-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine
CID 162433805
(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 168976925
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine
CID 170011901
6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433516
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433822
6-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433427
tert-butyl N-(cyclopropylmethyl)-N-[1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]carbamate
CID 168978161
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol
CID 168977780
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
CID 168977833
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane
CID 162433612
2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one
CID 168977195

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine (CID 162433618) is N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine is CC(C)(C)NC1CCN(c2ccc3nc([Sn](C)(C)C)ccc3n2)C1.
What is the InChIKey of N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine?
The InChIKey is QWQJBINLXXULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N4.3CH3.Sn/c1-16(2,3)19-12-8-10-20(11-12)15-7-6-13-14(18-15)5-4-9-17-13;;;;/h4-7,12,19H,8,10-11H2,1-3H3;3*1H3;.
What are the key properties of N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine?
N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine has a molecular weight of 433.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 162433618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).