N-propylidenepropanimidamide

C6H12N2 — CID 122651464

IUPACN-propylidenepropanimidamide
SMILES[H]/N=C(CC)/N=C/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6(7)4-2/h5,7H,3-4H2,1-2H3/b7-6+,8-5+
InChIKeyZNYTZTBZMMXORV-ZCOYIIAOSA-N
MW112.18 g/mol
LogP1.85
Rot. Bonds2

About N-propylidenepropanimidamide

N-propylidenepropanimidamide (PubChem CID 122651464) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-propylidenepropanimidamide.

Molecular Properties

Compound NameN-propylidenepropanimidamide
PubChem CID122651464
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-propylidenepropanimidamide
SMILES[H]/N=C(CC)/N=C/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6(7)4-2/h5,7H,3-4H2,1-2H3/b7-6+,8-5+
InChIKeyZNYTZTBZMMXORV-ZCOYIIAOSA-N
XLogP1.85
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Diiminodipropylamine
CID 123307968
3-(2-Fluoroethylimino)propanimidamide
CID 123564220
Butylideneaminoeth-yleneimine
CID 129790725
Propylideneaminoeth-yleneimine
CID 129790873
N-methylidenepropanimidamide
CID 17915173
N-ethylideneethanimidamide
CID 20656499
1-Pentylideneguanidine
CID 56608064
2-(Propylideneamino)ethanimidamide
CID 58218957
(1Z)-1-ethylidene-3-methylideneguanidine
CID 60098799
N-ethylidene-N'-methanimidoylethanimidamide
CID 88586883
N-(1-methyliminopropan-2-ylidene)methanimidamide
CID 89176231
5-Ethylpyrazine-2,3-diimine
CID 89225463

Frequently Asked Questions

What is the IUPAC name of N-propylidenepropanimidamide?
The IUPAC name of N-propylidenepropanimidamide (CID 122651464) is N-propylidenepropanimidamide.
What is the SMILES notation for N-propylidenepropanimidamide?
The canonical SMILES for N-propylidenepropanimidamide is [H]/N=C(CC)/N=C/CC.
What is the InChIKey of N-propylidenepropanimidamide?
The InChIKey is ZNYTZTBZMMXORV-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-8-6(7)4-2/h5,7H,3-4H2,1-2H3/b7-6+,8-5+.
What are the key properties of N-propylidenepropanimidamide?
N-propylidenepropanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenepropanimidamide is sourced from PubChem (CID 122651464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).