(3R,4S)-N-benzyl-3-methyloxan-4-amine

C13H19NO — CID 121252774

IUPAC(3R,4S)-N-benzyl-3-methyloxan-4-amine
SMILESC[C@H]1COCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11-10-15-8-7-13(11)14-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyUAIXEOIQIOOYES-AAEUAGOBSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About (3R,4S)-N-benzyl-3-methyloxan-4-amine

(3R,4S)-N-benzyl-3-methyloxan-4-amine (PubChem CID 121252774) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R,4S)-N-benzyl-3-methyloxan-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-benzyl-3-methyloxan-4-amine
PubChem CID121252774
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R,4S)-N-benzyl-3-methyloxan-4-amine
SMILESC[C@H]1COCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11-10-15-8-7-13(11)14-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyUAIXEOIQIOOYES-AAEUAGOBSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
CID 138712790
N-benzyl-5-methylazepan-4-amine
CID 174634749
(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 169132478
3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
CID 130173693
(4S,5R)-N-benzyl-4-methyl-2,2-dioxooxathiazepan-5-amine
CID 102080126
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
N-benzyloxepan-4-amine
CID 65076712
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
(4aS,8aR)-8-(benzylamino)-4,4a,5,7,8,8a-hexahydro-1H-pyrano[3,4-b]pyrazine-2,3-dione
CID 166710503
benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
CID 143085750

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-benzyl-3-methyloxan-4-amine?
The IUPAC name of (3R,4S)-N-benzyl-3-methyloxan-4-amine (CID 121252774) is (3R,4S)-N-benzyl-3-methyloxan-4-amine.
What is the SMILES notation for (3R,4S)-N-benzyl-3-methyloxan-4-amine?
The canonical SMILES for (3R,4S)-N-benzyl-3-methyloxan-4-amine is C[C@H]1COCC[C@@H]1NCc1ccccc1.
What is the InChIKey of (3R,4S)-N-benzyl-3-methyloxan-4-amine?
The InChIKey is UAIXEOIQIOOYES-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-15-8-7-13(11)14-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3R,4S)-N-benzyl-3-methyloxan-4-amine?
(3R,4S)-N-benzyl-3-methyloxan-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-benzyl-3-methyloxan-4-amine is sourced from PubChem (CID 121252774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).