propyl N-[amino(dimethylamino)methylidene]carbamimidate

C7H16N4O — CID 123453327

IUPACpropyl N-[amino(dimethylamino)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)N(C)C)OCCC
InChIInChI=1S/C7H16N4O/c1-4-5-12-7(9)10-6(8)11(2)3/h4-5H2,1-3H3,(H3,8,9,10)
InChIKeySKWOEWJDRDNZKN-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.22
Rot. Bonds2

About propyl N-[amino(dimethylamino)methylidene]carbamimidate

propyl N-[amino(dimethylamino)methylidene]carbamimidate (PubChem CID 123453327) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is propyl N-[amino(dimethylamino)methylidene]carbamimidate.

Molecular Properties

Compound Namepropyl N-[amino(dimethylamino)methylidene]carbamimidate
PubChem CID123453327
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Namepropyl N-[amino(dimethylamino)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)N(C)C)OCCC
InChIInChI=1S/C7H16N4O/c1-4-5-12-7(9)10-6(8)11(2)3/h4-5H2,1-3H3,(H3,8,9,10)
InChIKeySKWOEWJDRDNZKN-UHFFFAOYSA-N
XLogP0.22
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.22
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

2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate
CID 123811256
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
CID 176521466
1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
CID 86292533
N,N-dimethyl-1-propoxyethenamine
CID 142050908
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
(E)-3-propoxypent-3-en-2-imine
CID 178009158

Frequently Asked Questions

What is the IUPAC name of propyl N-[amino(dimethylamino)methylidene]carbamimidate?
The IUPAC name of propyl N-[amino(dimethylamino)methylidene]carbamimidate (CID 123453327) is propyl N-[amino(dimethylamino)methylidene]carbamimidate.
What is the SMILES notation for propyl N-[amino(dimethylamino)methylidene]carbamimidate?
The canonical SMILES for propyl N-[amino(dimethylamino)methylidene]carbamimidate is [H]/N=C(/N=C(N)N(C)C)OCCC.
What is the InChIKey of propyl N-[amino(dimethylamino)methylidene]carbamimidate?
The InChIKey is SKWOEWJDRDNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-4-5-12-7(9)10-6(8)11(2)3/h4-5H2,1-3H3,(H3,8,9,10).
What are the key properties of propyl N-[amino(dimethylamino)methylidene]carbamimidate?
propyl N-[amino(dimethylamino)methylidene]carbamimidate has a molecular weight of 172.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[amino(dimethylamino)methylidene]carbamimidate is sourced from PubChem (CID 123453327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).