N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide

C11H20N2 — CID 90779514

IUPACN'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide
SMILESC=C/N=C/N(C=CCCC)C(C)C
InChIInChI=1S/C11H20N2/c1-5-7-8-9-13(11(3)4)10-12-6-2/h6,8-11H,2,5,7H2,1,3-4H3/b9-8?,12-10+
InChIKeyUPYIMFQRDCZATK-HYSGBWKPSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds6

About N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide

N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide (PubChem CID 90779514) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide
PubChem CID90779514
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide
SMILESC=C/N=C/N(C=CCCC)C(C)C
InChIInChI=1S/C11H20N2/c1-5-7-8-9-13(11(3)4)10-12-6-2/h6,8-11H,2,5,7H2,1,3-4H3/b9-8?,12-10+
InChIKeyUPYIMFQRDCZATK-HYSGBWKPSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide (CID 90779514) is N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide is C=C/N=C/N(C=CCCC)C(C)C.
What is the InChIKey of N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide?
The InChIKey is UPYIMFQRDCZATK-HYSGBWKPSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-9-13(11(3)4)10-12-6-2/h6,8-11H,2,5,7H2,1,3-4H3/b9-8?,12-10+.
What are the key properties of N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide?
N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-pent-1-enyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 90779514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).