1-(hept-1-en-4-ylamino)propan-2-ol

C10H21NO — CID 4712407

IUPAC1-(hept-1-en-4-ylamino)propan-2-ol
SMILESC=CCC(CCC)NCC(C)O
InChIInChI=1S/C10H21NO/c1-4-6-10(7-5-2)11-8-9(3)12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyWEBAQNFCKFQKRP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds7

About 1-(hept-1-en-4-ylamino)propan-2-ol

1-(hept-1-en-4-ylamino)propan-2-ol (PubChem CID 4712407) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(hept-1-en-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(hept-1-en-4-ylamino)propan-2-ol
PubChem CID4712407
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(hept-1-en-4-ylamino)propan-2-ol
SMILESC=CCC(CCC)NCC(C)O
InChIInChI=1S/C10H21NO/c1-4-6-10(7-5-2)11-8-9(3)12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyWEBAQNFCKFQKRP-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
1-(octan-4-ylamino)propan-2-ol
CID 103775311
1-(2-methylhex-5-en-3-ylamino)propan-2-ol
CID 2772037
1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115718086
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
ethane;5-methyloct-1-en-4-ol
CID 142059047
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
N-propylhepta-1,6-dien-4-amine
CID 88756960
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
azane;pent-4-en-2-ol
CID 22149561
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469

Frequently Asked Questions

What is the IUPAC name of 1-(hept-1-en-4-ylamino)propan-2-ol?
The IUPAC name of 1-(hept-1-en-4-ylamino)propan-2-ol (CID 4712407) is 1-(hept-1-en-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(hept-1-en-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(hept-1-en-4-ylamino)propan-2-ol is C=CCC(CCC)NCC(C)O.
What is the InChIKey of 1-(hept-1-en-4-ylamino)propan-2-ol?
The InChIKey is WEBAQNFCKFQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(7-5-2)11-8-9(3)12/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 1-(hept-1-en-4-ylamino)propan-2-ol?
1-(hept-1-en-4-ylamino)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hept-1-en-4-ylamino)propan-2-ol is sourced from PubChem (CID 4712407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).