2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide

C14H30N2 — CID 123680445

IUPAC2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(CCC(C)C)C(C)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)8-9-16(13(7)11(3)4)14(15)12(5)6/h10-13,15H,8-9H2,1-7H3/b15-14+
InChIKeyRGYZEKORSSGQQY-CCEZHUSRSA-N
MW226.41 g/mol
LogP4.01
Rot. Bonds6

About 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide

2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide (PubChem CID 123680445) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide
PubChem CID123680445
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(CCC(C)C)C(C)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)8-9-16(13(7)11(3)4)14(15)12(5)6/h10-13,15H,8-9H2,1-7H3/b15-14+
InChIKeyRGYZEKORSSGQQY-CCEZHUSRSA-N
XLogP4.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.01
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

ethane;N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
CID 143160692
N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
CID 63177358
2-N-methyl-2-N-(3-methylbutyl)prop-2-ene-1,2-diamine
CID 134572260
N-hydrazinyl-2-methyl-N-propan-2-ylpropanimidamide
CID 172628063
1,1-bis(11-methyldodecyl)guanidine
CID 19826644
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
CID 141318691
N,N-diethyl-4-methylpentanimidamide
CID 63179219
N-benzyl-2-methyl-N-propylpropanimidamide
CID 130949463
N-[(Z)-hex-2-enyl]-N,2-dimethylpropanimidamide
CID 174183986
4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
CID 121263417
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide?
The IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide (CID 123680445) is 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide?
The canonical SMILES for 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide is [H]/N=C(\C(C)C)N(CCC(C)C)C(C)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide?
The InChIKey is RGYZEKORSSGQQY-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H30N2/c1-10(2)8-9-16(13(7)11(3)4)14(15)12(5)6/h10-13,15H,8-9H2,1-7H3/b15-14+.
What are the key properties of 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide?
2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide has a molecular weight of 226.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutan-2-yl)-N-(3-methylbutyl)propanimidamide is sourced from PubChem (CID 123680445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).