[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol

C10H19NO — CID 115454803

IUPAC[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol
SMILESC=CCCCNCC1(CO)CC1
InChIInChI=1S/C10H19NO/c1-2-3-4-7-11-8-10(9-12)5-6-10/h2,11-12H,1,3-9H2
InChIKeyADGOKNWSTJSDGG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds7

About [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol

[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol (PubChem CID 115454803) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol
PubChem CID115454803
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol
SMILESC=CCCCNCC1(CO)CC1
InChIInChI=1S/C10H19NO/c1-2-3-4-7-11-8-10(9-12)5-6-10/h2,11-12H,1,3-9H2
InChIKeyADGOKNWSTJSDGG-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol (CID 115454803) is [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol is C=CCCCNCC1(CO)CC1.
What is the InChIKey of [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol?
The InChIKey is ADGOKNWSTJSDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-7-11-8-10(9-12)5-6-10/h2,11-12H,1,3-9H2.
What are the key properties of [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol?
[1-[(pent-4-enylamino)methyl]cyclopropyl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pent-4-enylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).