3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide

C22H42N2 — CID 170274072

IUPAC3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide
SMILESC=C(/C(=N\C=C/C(C)CC)N(CCC)CCC(C)CC)C(C)CC
InChIInChI=1S/C22H42N2/c1-9-16-24(17-14-19(6)11-3)22(21(8)20(7)12-4)23-15-13-18(5)10-2/h13,15,18-20H,8-12,14,16-17H2,1-7H3/b15-13-,23-22+
InChIKeyAKAMFRPPVCEEAA-RSTANZGJSA-N
MW334.59 g/mol
LogP6.70
Rot. Bonds12

About 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide

3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide (PubChem CID 170274072) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide.

Molecular Properties

Compound Name3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide
PubChem CID170274072
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide
SMILESC=C(/C(=N\C=C/C(C)CC)N(CCC)CCC(C)CC)C(C)CC
InChIInChI=1S/C22H42N2/c1-9-16-24(17-14-19(6)11-3)22(21(8)20(7)12-4)23-15-13-18(5)10-2/h13,15,18-20H,8-12,14,16-17H2,1-7H3/b15-13-,23-22+
InChIKeyAKAMFRPPVCEEAA-RSTANZGJSA-N
XLogP6.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.70
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 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide?
The IUPAC name of 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide (CID 170274072) is 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide.
What is the SMILES notation for 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide?
The canonical SMILES for 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide is C=C(/C(=N\C=C/C(C)CC)N(CCC)CCC(C)CC)C(C)CC.
What is the InChIKey of 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide?
The InChIKey is AKAMFRPPVCEEAA-RSTANZGJSA-N. The full InChI is InChI=1S/C22H42N2/c1-9-16-24(17-14-19(6)11-3)22(21(8)20(7)12-4)23-15-13-18(5)10-2/h13,15,18-20H,8-12,14,16-17H2,1-7H3/b15-13-,23-22+.
What are the key properties of 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide?
3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide has a molecular weight of 334.59 g/mol, XLogP of 6.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N'-[(Z)-3-methylpent-1-enyl]-N-(3-methylpentyl)-N-propylpentanimidamide is sourced from PubChem (CID 170274072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).