(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol

C12H23NO — CID 103871664

IUPAC(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol
SMILESC=CCCC(N[C@H](C)CCO)C1CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-12(11-6-7-11)13-10(2)8-9-14/h3,10-14H,1,4-9H2,2H3/t10-,12?/m1/s1
InChIKeyPLDMJLROAAASKB-RWANSRKNSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds8

About (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol

(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol (PubChem CID 103871664) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol
PubChem CID103871664
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol
SMILESC=CCCC(N[C@H](C)CCO)C1CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-12(11-6-7-11)13-10(2)8-9-14/h3,10-14H,1,4-9H2,2H3/t10-,12?/m1/s1
InChIKeyPLDMJLROAAASKB-RWANSRKNSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol?
The IUPAC name of (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol (CID 103871664) is (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol is C=CCCC(N[C@H](C)CCO)C1CC1.
What is the InChIKey of (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol?
The InChIKey is PLDMJLROAAASKB-RWANSRKNSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-12(11-6-7-11)13-10(2)8-9-14/h3,10-14H,1,4-9H2,2H3/t10-,12?/m1/s1.
What are the key properties of (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol?
(3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-cyclopropylpent-4-enylamino)butan-1-ol is sourced from PubChem (CID 103871664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).