N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide

C13H27N3 — CID 139374736

IUPACN-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide
SMILESCCCN(C)CCCN(C)/C=N/C=C(C)C
InChIInChI=1S/C13H27N3/c1-6-8-15(4)9-7-10-16(5)12-14-11-13(2)3/h11-12H,6-10H2,1-5H3/b14-12+
InChIKeyBVGHWZVONQUDAW-WYMLVPIESA-N
MW225.38 g/mol
LogP2.60
Rot. Bonds8

About N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide

N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide (PubChem CID 139374736) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide
PubChem CID139374736
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide
SMILESCCCN(C)CCCN(C)/C=N/C=C(C)C
InChIInChI=1S/C13H27N3/c1-6-8-15(4)9-7-10-16(5)12-14-11-13(2)3/h11-12H,6-10H2,1-5H3/b14-12+
InChIKeyBVGHWZVONQUDAW-WYMLVPIESA-N
XLogP2.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide?
The IUPAC name of N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide (CID 139374736) is N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide.
What is the SMILES notation for N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide?
The canonical SMILES for N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide is CCCN(C)CCCN(C)/C=N/C=C(C)C.
What is the InChIKey of N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide?
The InChIKey is BVGHWZVONQUDAW-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27N3/c1-6-8-15(4)9-7-10-16(5)12-14-11-13(2)3/h11-12H,6-10H2,1-5H3/b14-12+.
What are the key properties of N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide?
N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide is sourced from PubChem (CID 139374736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).