(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine

C12H18N2O — CID 81406305

IUPAC(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCC1CCOC1)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(12-2-5-13-6-3-12)14-8-11-4-7-15-9-11/h2-3,5-6,10-11,14H,4,7-9H2,1H3/t10-,11?/m1/s1
InChIKeyHCCNBMQRPSXRMB-NFJWQWPMSA-N
MW206.29 g/mol
LogP1.77
Rot. Bonds4

About (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine

(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine (PubChem CID 81406305) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
PubChem CID81406305
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCC1CCOC1)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(12-2-5-13-6-3-12)14-8-11-4-7-15-9-11/h2-3,5-6,10-11,14H,4,7-9H2,1H3/t10-,11?/m1/s1
InChIKeyHCCNBMQRPSXRMB-NFJWQWPMSA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine (CID 81406305) is (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine is C[C@@H](NCC1CCOC1)c1ccncc1.
What is the InChIKey of (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine?
The InChIKey is HCCNBMQRPSXRMB-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(12-2-5-13-6-3-12)14-8-11-4-7-15-9-11/h2-3,5-6,10-11,14H,4,7-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine?
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).