butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate

C10H20N4O — CID 123811256

IUPACbutyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)N1CCCC1)OCCCC
InChIInChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyYJPKTBLCRVIZSI-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.15
Rot. Bonds3

About butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate

butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate (PubChem CID 123811256) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate.

Molecular Properties

Compound Namebutyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate
PubChem CID123811256
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Namebutyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate
SMILES[H]/N=C(/N=C(N)N1CCCC1)OCCCC
InChIInChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyYJPKTBLCRVIZSI-UHFFFAOYSA-N
XLogP1.15
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate?
The IUPAC name of butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate (CID 123811256) is butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate.
What is the SMILES notation for butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate?
The canonical SMILES for butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate is [H]/N=C(/N=C(N)N1CCCC1)OCCCC.
What is the InChIKey of butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate?
The InChIKey is YJPKTBLCRVIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-3-8-15-10(12)13-9(11)14-6-4-5-7-14/h2-8H2,1H3,(H3,11,12,13).
What are the key properties of butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate?
butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate has a molecular weight of 212.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[amino(pyrrolidin-1-yl)methylidene]carbamimidate is sourced from PubChem (CID 123811256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).