3-imino-N'-propylpropanimidamide

C6H13N3 — CID 123307968

IUPAC3-imino-N'-propylpropanimidamide
SMILES[H]/N=C/C/C(N)=N/CCC
InChIInChI=1S/C6H13N3/c1-2-5-9-6(8)3-4-7/h4,7H,2-3,5H2,1H3,(H2,8,9)/b7-4+
InChIKeyRWQVOKXPONLWMO-QPJJXVBHSA-N
MW127.19 g/mol
LogP0.79
Rot. Bonds4

About 3-imino-N'-propylpropanimidamide

3-imino-N'-propylpropanimidamide (PubChem CID 123307968) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-imino-N'-propylpropanimidamide.

Molecular Properties

Compound Name3-imino-N'-propylpropanimidamide
PubChem CID123307968
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-imino-N'-propylpropanimidamide
SMILES[H]/N=C/C/C(N)=N/CCC
InChIInChI=1S/C6H13N3/c1-2-5-9-6(8)3-4-7/h4,7H,2-3,5H2,1H3,(H2,8,9)/b7-4+
InChIKeyRWQVOKXPONLWMO-QPJJXVBHSA-N
XLogP0.79
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methylpropanimidamide hydrochloride
CID 88163200
Ethyl acetimidamide
CID 11309506
(1E)-N'-Methylpropanimidamide
CID 22463764
N'-(2-fluoroethyl)-3-iminopropanimidamide
CID 123394407
N'-(2-fluoropropyl)propanimidamide
CID 144557665
2-[(2S)-3-fluorobutan-2-yl]imino-N'-methylethanimidamide
CID 173785859
N'-(fluoroiminomethyl)propanimidamide
CID 173848271
2-(1-fluoroethylimino)-N'-methylethanimidamide
CID 173873901
Bis(ethylimino)ethylamine
CID 129802213
N'-(cyanomethyl)propanimidamide
CID 10898674
3-amino-N'-methylpropanimidamide
CID 15816396
N'-ethylpropanimidamide
CID 17769889

Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-propylpropanimidamide?
The IUPAC name of 3-imino-N'-propylpropanimidamide (CID 123307968) is 3-imino-N'-propylpropanimidamide.
What is the SMILES notation for 3-imino-N'-propylpropanimidamide?
The canonical SMILES for 3-imino-N'-propylpropanimidamide is [H]/N=C/C/C(N)=N/CCC.
What is the InChIKey of 3-imino-N'-propylpropanimidamide?
The InChIKey is RWQVOKXPONLWMO-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-5-9-6(8)3-4-7/h4,7H,2-3,5H2,1H3,(H2,8,9)/b7-4+.
What are the key properties of 3-imino-N'-propylpropanimidamide?
3-imino-N'-propylpropanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-propylpropanimidamide is sourced from PubChem (CID 123307968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).