ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine

C16H30N2O — CID 168930336

IUPACethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
SMILESCC.CC.CC(C)c1ccnc(NCC2COC2)c1
InChIInChI=1S/C12H18N2O.2C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;2*1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyYVQMLJXKCZXSRL-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.32
Rot. Bonds4

About ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine

ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 168930336) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Nameethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
PubChem CID168930336
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
SMILESCC.CC.CC(C)c1ccnc(NCC2COC2)c1
InChIInChI=1S/C12H18N2O.2C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;2*1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyYVQMLJXKCZXSRL-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 168930732
N-(piperidin-4-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 126724513
4-(1-aminoethyl)-N-(cyclopropylmethyl)pyridin-2-amine
CID 138702809
N-(morpholin-2-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 130369631
N-cyclopentyl-4-propan-2-ylpyridin-2-amine
CID 130369726
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139063
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
N-(oxetan-3-ylmethyl)-5-prop-1-en-2-ylpyridazin-3-amine
CID 168929653
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889

Frequently Asked Questions

What is the IUPAC name of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The IUPAC name of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine (CID 168930336) is ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine is CC.CC.CC(C)c1ccnc(NCC2COC2)c1.
What is the InChIKey of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The InChIKey is YVQMLJXKCZXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.2C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;2*1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 266.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 168930336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).