(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine

C18H22N2 — CID 15522160

IUPAC(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
SMILESCC[C@]1(C)N=C1N(C)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-5-18(3)17(19-18)20(4)13(2)15-12-8-10-14-9-6-7-11-16(14)15/h6-13H,5H2,1-4H3/t13-,18+/m1/s1
InChIKeyPHNABRGRSXLXBP-ACJLOTCBSA-N
MW266.39 g/mol
LogP4.41
Rot. Bonds3

About (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine

(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine (PubChem CID 15522160) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine.

Molecular Properties

Compound Name(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
PubChem CID15522160
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
SMILESCC[C@]1(C)N=C1N(C)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-5-18(3)17(19-18)20(4)13(2)15-12-8-10-14-9-6-7-11-16(14)15/h6-13H,5H2,1-4H3/t13-,18+/m1/s1
InChIKeyPHNABRGRSXLXBP-ACJLOTCBSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
CID 15522168
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
butane;1-propan-2-ylnaphthalene
CID 157253186
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
CID 72708650
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The IUPAC name of (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine (CID 15522160) is (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine.
What is the SMILES notation for (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The canonical SMILES for (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine is CC[C@]1(C)N=C1N(C)[C@H](C)c1cccc2ccccc12.
What is the InChIKey of (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The InChIKey is PHNABRGRSXLXBP-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H22N2/c1-5-18(3)17(19-18)20(4)13(2)15-12-8-10-14-9-6-7-11-16(14)15/h6-13H,5H2,1-4H3/t13-,18+/m1/s1.
What are the key properties of (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
(3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine is sourced from PubChem (CID 15522160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).