(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine

C11H25NO — CID 96570976

IUPAC(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
SMILESCCCC[C@H](CC)CO[C@@H](N)CC
InChIInChI=1S/C11H25NO/c1-4-7-8-10(5-2)9-13-11(12)6-3/h10-11H,4-9,12H2,1-3H3/t10-,11+/m0/s1
InChIKeyYXKQKACMTQRFMA-WDEREUQCSA-N
MW187.33 g/mol
LogP2.91
Rot. Bonds8

About (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine

(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine (PubChem CID 96570976) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
PubChem CID96570976
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
SMILESCCCC[C@H](CC)CO[C@@H](N)CC
InChIInChI=1S/C11H25NO/c1-4-7-8-10(5-2)9-13-11(12)6-3/h10-11H,4-9,12H2,1-3H3/t10-,11+/m0/s1
InChIKeyYXKQKACMTQRFMA-WDEREUQCSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxymethyl)heptane
CID 162429038
3-(heptan-3-yloxymethyl)heptane
CID 90211738
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
CID 88774019
CID 88774019

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine?
The IUPAC name of (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine (CID 96570976) is (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine.
What is the SMILES notation for (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine?
The canonical SMILES for (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine is CCCC[C@H](CC)CO[C@@H](N)CC.
What is the InChIKey of (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine?
The InChIKey is YXKQKACMTQRFMA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-8-10(5-2)9-13-11(12)6-3/h10-11H,4-9,12H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine?
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine is sourced from PubChem (CID 96570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).