N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide

C15H29N3O — CID 87499923

IUPACN-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide
SMILESC=CCN(CC=C)N(C(=O)CCNCCC)C(C)C
InChIInChI=1S/C15H29N3O/c1-6-10-16-11-9-15(19)18(14(4)5)17(12-7-2)13-8-3/h7-8,14,16H,2-3,6,9-13H2,1,4-5H3
InChIKeyKBNBRNREJQXCEH-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.20
Rot. Bonds11

About N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide

N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide (PubChem CID 87499923) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide.

Molecular Properties

Compound NameN-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide
PubChem CID87499923
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide
SMILESC=CCN(CC=C)N(C(=O)CCNCCC)C(C)C
InChIInChI=1S/C15H29N3O/c1-6-10-16-11-9-15(19)18(14(4)5)17(12-7-2)13-8-3/h7-8,14,16H,2-3,6,9-13H2,1,4-5H3
InChIKeyKBNBRNREJQXCEH-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide?
The IUPAC name of N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide (CID 87499923) is N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide.
What is the SMILES notation for N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide?
The canonical SMILES for N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide is C=CCN(CC=C)N(C(=O)CCNCCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide?
The InChIKey is KBNBRNREJQXCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-10-16-11-9-15(19)18(14(4)5)17(12-7-2)13-8-3/h7-8,14,16H,2-3,6,9-13H2,1,4-5H3.
What are the key properties of N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide?
N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide has a molecular weight of 267.42 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide is sourced from PubChem (CID 87499923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).