(4S)-3-ethoxyheptan-4-amine

C9H21NO — CID 104932381

IUPAC(4S)-3-ethoxyheptan-4-amine
SMILESCCC[C@H](N)C(CC)OCC
InChIInChI=1S/C9H21NO/c1-4-7-8(10)9(5-2)11-6-3/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyDQRLQUUXWKKMBD-IENPIDJESA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds6

About (4S)-3-ethoxyheptan-4-amine

(4S)-3-ethoxyheptan-4-amine (PubChem CID 104932381) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (4S)-3-ethoxyheptan-4-amine.

Molecular Properties

Compound Name(4S)-3-ethoxyheptan-4-amine
PubChem CID104932381
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(4S)-3-ethoxyheptan-4-amine
SMILESCCC[C@H](N)C(CC)OCC
InChIInChI=1S/C9H21NO/c1-4-7-8(10)9(5-2)11-6-3/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyDQRLQUUXWKKMBD-IENPIDJESA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622
4-ethoxy-2-methylheptan-3-amine
CID 116717495
(4R,5R)-octane-4,5-diamine
CID 13138963
6-ethoxy-3-methylidenenonan-5-amine
CID 116717528
4-tetradecoxyhexane-1,3-diamine
CID 22385509
3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
3-ethoxy-1-(oxan-4-yl)pentan-2-amine
CID 116716257
1-cyclopentyl-2-ethoxybutan-1-amine
CID 116716463
1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
diethoxymethanamine;hydrochloride
CID 175125355

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethoxyheptan-4-amine?
The IUPAC name of (4S)-3-ethoxyheptan-4-amine (CID 104932381) is (4S)-3-ethoxyheptan-4-amine.
What is the SMILES notation for (4S)-3-ethoxyheptan-4-amine?
The canonical SMILES for (4S)-3-ethoxyheptan-4-amine is CCC[C@H](N)C(CC)OCC.
What is the InChIKey of (4S)-3-ethoxyheptan-4-amine?
The InChIKey is DQRLQUUXWKKMBD-IENPIDJESA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7-8(10)9(5-2)11-6-3/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (4S)-3-ethoxyheptan-4-amine?
(4S)-3-ethoxyheptan-4-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethoxyheptan-4-amine is sourced from PubChem (CID 104932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).