(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine

C14H27NO — CID 170367393

IUPAC(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine
SMILES[H]/N=C/[C@@](C)(CCCC)CC[C@]1(C)CCCO1
InChIInChI=1S/C14H27NO/c1-4-5-7-13(2,12-15)9-10-14(3)8-6-11-16-14/h12,15H,4-11H2,1-3H3/b15-12+/t13-,14-/m0/s1
InChIKeyWXEDPWWNBQLBAW-HMVKAIMHSA-N
MW225.38 g/mol
LogP4.18
Rot. Bonds7

About (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine

(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine (PubChem CID 170367393) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine.

Molecular Properties

Compound Name(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine
PubChem CID170367393
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine
SMILES[H]/N=C/[C@@](C)(CCCC)CC[C@]1(C)CCCO1
InChIInChI=1S/C14H27NO/c1-4-5-7-13(2,12-15)9-10-14(3)8-6-11-16-14/h12,15H,4-11H2,1-3H3/b15-12+/t13-,14-/m0/s1
InChIKeyWXEDPWWNBQLBAW-HMVKAIMHSA-N
XLogP4.18
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine?
The IUPAC name of (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine (CID 170367393) is (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine.
What is the SMILES notation for (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine?
The canonical SMILES for (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine is [H]/N=C/[C@@](C)(CCCC)CC[C@]1(C)CCCO1.
What is the InChIKey of (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine?
The InChIKey is WXEDPWWNBQLBAW-HMVKAIMHSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-7-13(2,12-15)9-10-14(3)8-6-11-16-14/h12,15H,4-11H2,1-3H3/b15-12+/t13-,14-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine?
(2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine has a molecular weight of 225.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[2-[(2R)-2-methyloxolan-2-yl]ethyl]hexan-1-imine is sourced from PubChem (CID 170367393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).