3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

C17H27N3 — CID 64521673

IUPAC3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESCC(C)(C)NCc1cccnc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)19-11-14-5-4-10-18-16(14)20(15-8-9-15)12-13-6-7-13/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3
InChIKeyPLAYTGWRLLWFAN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.35
Rot. Bonds6

About 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 64521673) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID64521673
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESCC(C)(C)NCc1cccnc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)19-11-14-5-4-10-18-16(14)20(15-8-9-15)12-13-6-7-13/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3
InChIKeyPLAYTGWRLLWFAN-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-3-(methylaminomethyl)pyridin-2-amine
CID 64522468
2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 64522590
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 62295318
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 61255764
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (CID 64521673) is 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is CC(C)(C)NCc1cccnc1N(CC1CC1)C1CC1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is PLAYTGWRLLWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,3)19-11-14-5-4-10-18-16(14)20(15-8-9-15)12-13-6-7-13/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 64521673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).