N'-methyl-N-pent-1-en-2-ylmethanimidamide

C7H14N2 — CID 163803757

IUPACN'-methyl-N-pent-1-en-2-ylmethanimidamide
SMILESC=C(CCC)N/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h6H,2,4-5H2,1,3H3,(H,8,9)
InChIKeyNHFIFSCCCQAZIB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds4

About N'-methyl-N-pent-1-en-2-ylmethanimidamide

N'-methyl-N-pent-1-en-2-ylmethanimidamide (PubChem CID 163803757) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-methyl-N-pent-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-pent-1-en-2-ylmethanimidamide
PubChem CID163803757
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-methyl-N-pent-1-en-2-ylmethanimidamide
SMILESC=C(CCC)N/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h6H,2,4-5H2,1,3H3,(H,8,9)
InChIKeyNHFIFSCCCQAZIB-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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

6-methylidene-4,5-dihydro-1H-pyrimidine
CID 59716033
[(2R)-1-(1H-imidazol-1-ium-5-yl)propan-2-yl]azanium
CID 60105779
N'-methyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 89281937
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 118973315
N,N'-bis(prop-1-en-2-yl)methanimidamide
CID 123891901
N'-ethyl-N-penta-1,2-dien-3-ylmethanimidamide
CID 129058107
N-but-1-en-2-yl-N'-methylmethanimidamide
CID 132036532
N'-methyl-N-[(Z)-pent-2-en-3-yl]methanimidamide
CID 137447718
N'-methyl-N-[(E)-pent-2-en-3-yl]methanimidamide
CID 138528162
N'-pent-1-en-2-ylmethanimidamide
CID 141885972

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pent-1-en-2-ylmethanimidamide?
The IUPAC name of N'-methyl-N-pent-1-en-2-ylmethanimidamide (CID 163803757) is N'-methyl-N-pent-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-methyl-N-pent-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-methyl-N-pent-1-en-2-ylmethanimidamide is C=C(CCC)N/C=N/C.
What is the InChIKey of N'-methyl-N-pent-1-en-2-ylmethanimidamide?
The InChIKey is NHFIFSCCCQAZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h6H,2,4-5H2,1,3H3,(H,8,9).
What are the key properties of N'-methyl-N-pent-1-en-2-ylmethanimidamide?
N'-methyl-N-pent-1-en-2-ylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pent-1-en-2-ylmethanimidamide is sourced from PubChem (CID 163803757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).