N,N',N'-trimethyl-3-(propylamino)propanehydrazide

C9H21N3O — CID 87500592

IUPACN,N',N'-trimethyl-3-(propylamino)propanehydrazide
SMILESCCCNCCC(=O)N(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-5-7-10-8-6-9(13)12(4)11(2)3/h10H,5-8H2,1-4H3
InChIKeyMBUXFVBTRJJLGL-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.31
Rot. Bonds6

About N,N',N'-trimethyl-3-(propylamino)propanehydrazide

N,N',N'-trimethyl-3-(propylamino)propanehydrazide (PubChem CID 87500592) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N,N',N'-trimethyl-3-(propylamino)propanehydrazide.

Molecular Properties

Compound NameN,N',N'-trimethyl-3-(propylamino)propanehydrazide
PubChem CID87500592
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN,N',N'-trimethyl-3-(propylamino)propanehydrazide
SMILESCCCNCCC(=O)N(C)N(C)C
InChIInChI=1S/C9H21N3O/c1-5-7-10-8-6-9(13)12(4)11(2)3/h10H,5-8H2,1-4H3
InChIKeyMBUXFVBTRJJLGL-UHFFFAOYSA-N
XLogP0.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(propylamino)propanoic acid
CID 145416081
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
2-methylidene-4-(propylamino)butanamide
CID 141087699
4-(propylamino)butanamide
CID 21468794
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
5-(propylamino)pentanoic acid
CID 103691549

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethyl-3-(propylamino)propanehydrazide?
The IUPAC name of N,N',N'-trimethyl-3-(propylamino)propanehydrazide (CID 87500592) is N,N',N'-trimethyl-3-(propylamino)propanehydrazide.
What is the SMILES notation for N,N',N'-trimethyl-3-(propylamino)propanehydrazide?
The canonical SMILES for N,N',N'-trimethyl-3-(propylamino)propanehydrazide is CCCNCCC(=O)N(C)N(C)C.
What is the InChIKey of N,N',N'-trimethyl-3-(propylamino)propanehydrazide?
The InChIKey is MBUXFVBTRJJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-5-7-10-8-6-9(13)12(4)11(2)3/h10H,5-8H2,1-4H3.
What are the key properties of N,N',N'-trimethyl-3-(propylamino)propanehydrazide?
N,N',N'-trimethyl-3-(propylamino)propanehydrazide has a molecular weight of 187.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethyl-3-(propylamino)propanehydrazide is sourced from PubChem (CID 87500592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).