(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine

C9H20FNO — CID 170129101

IUPAC(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine
SMILESCCO[C@@H](C)NCC[C@@H](F)CC
InChIInChI=1S/C9H20FNO/c1-4-9(10)6-7-11-8(3)12-5-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIMRNKVKTMLEMCL-IUCAKERBSA-N
MW177.26 g/mol
LogP2.10
Rot. Bonds7

About (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine

(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine (PubChem CID 170129101) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine
PubChem CID170129101
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine
SMILESCCO[C@@H](C)NCC[C@@H](F)CC
InChIInChI=1S/C9H20FNO/c1-4-9(10)6-7-11-8(3)12-5-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIMRNKVKTMLEMCL-IUCAKERBSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 52.10
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

N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
N-(1-ethoxy-2,2,2-trifluoroethyl)pentan-1-amine
CID 87091770
N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491263
N-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 64182713
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
N-(2-fluoroethyl)-3-propoxypropan-1-amine
CID 82942102
N-(3-fluoropropyl)-3-propoxypropan-1-amine
CID 82944604
5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine
CID 115518656
N-(3-ethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 115518943
N-ethyl-1-[1-(ethylamino)propoxy]propan-1-amine
CID 18380122
1-ethoxy-N-ethylhexan-1-amine
CID 20365816
1-ethoxy-N-(1-ethoxypropyl)propan-1-amine
CID 87153943

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine?
The IUPAC name of (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine (CID 170129101) is (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine.
What is the SMILES notation for (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine?
The canonical SMILES for (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine is CCO[C@@H](C)NCC[C@@H](F)CC.
What is the InChIKey of (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine?
The InChIKey is IMRNKVKTMLEMCL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20FNO/c1-4-9(10)6-7-11-8(3)12-5-2/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine?
(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine is sourced from PubChem (CID 170129101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).