(2S)-2-(pent-4-enylamino)propan-1-ol

C8H17NO — CID 89435895

IUPAC(2S)-2-(pent-4-enylamino)propan-1-ol
SMILESC=CCCCN[C@@H](C)CO
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyMNILPGRLGMHXRF-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds6

About (2S)-2-(pent-4-enylamino)propan-1-ol

(2S)-2-(pent-4-enylamino)propan-1-ol (PubChem CID 89435895) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-2-(pent-4-enylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(pent-4-enylamino)propan-1-ol
PubChem CID89435895
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-2-(pent-4-enylamino)propan-1-ol
SMILESC=CCCCN[C@@H](C)CO
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyMNILPGRLGMHXRF-QMMMGPOBSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]pent-4-en-1-ol;dihydrochloride
CID 90665153
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
2-(1,1,1-Trifluorooct-7-en-2-ylamino)propan-1-ol
CID 88904851
2-(Undec-1-en-6-ylamino)ethanol
CID 24812845
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
2-[[(2S)-pent-4-en-2-yl]amino]ethanol
CID 134864390
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]pent-4-en-1-ol
CID 44447054
1,1,1-Trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol
CID 104581912
1,1-Difluoro-3-(hex-5-en-2-ylamino)propan-2-ol
CID 104582908
2,2-Difluoro-3-(hex-5-en-2-ylamino)propan-1-ol
CID 104860513
3-Ethylamino-5-hexene-2-ol
CID 566897
2-(Trimethylsilylmethylamino)pent-4-en-1-ol
CID 11106091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pent-4-enylamino)propan-1-ol?
The IUPAC name of (2S)-2-(pent-4-enylamino)propan-1-ol (CID 89435895) is (2S)-2-(pent-4-enylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(pent-4-enylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(pent-4-enylamino)propan-1-ol is C=CCCCN[C@@H](C)CO.
What is the InChIKey of (2S)-2-(pent-4-enylamino)propan-1-ol?
The InChIKey is MNILPGRLGMHXRF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-9-8(2)7-10/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(pent-4-enylamino)propan-1-ol?
(2S)-2-(pent-4-enylamino)propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pent-4-enylamino)propan-1-ol is sourced from PubChem (CID 89435895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).