N,N-diethyl-4-methylpentanimidamide

C10H22N2 — CID 63179219

IUPACN,N-diethyl-4-methylpentanimidamide
SMILES[H]/N=C(\CCC(C)C)N(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)10(11)8-7-9(3)4/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyIFDSDBAPTVDSRO-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.74
Rot. Bonds5

About N,N-diethyl-4-methylpentanimidamide

N,N-diethyl-4-methylpentanimidamide (PubChem CID 63179219) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N-diethyl-4-methylpentanimidamide.

Molecular Properties

Compound NameN,N-diethyl-4-methylpentanimidamide
PubChem CID63179219
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N-diethyl-4-methylpentanimidamide
SMILES[H]/N=C(\CCC(C)C)N(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)10(11)8-7-9(3)4/h9,11H,5-8H2,1-4H3/b11-10+
InChIKeyIFDSDBAPTVDSRO-ZHACJKMWSA-N
XLogP2.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.74
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

N-butyl-N-ethylhexanimidamide;propane
CID 155716636
N,N-dibutylbutanimidamide
CID 63175446
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
N-ethenyl-N-propan-2-ylpropanimidamide
CID 146638834
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
4-ethyl-N,N-dimethyloctanimidamide
CID 154330119
3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82327090
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide
CID 115415895
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
N-amino-N-methylpropanimidamide
CID 123454598

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylpentanimidamide?
The IUPAC name of N,N-diethyl-4-methylpentanimidamide (CID 63179219) is N,N-diethyl-4-methylpentanimidamide.
What is the SMILES notation for N,N-diethyl-4-methylpentanimidamide?
The canonical SMILES for N,N-diethyl-4-methylpentanimidamide is [H]/N=C(\CCC(C)C)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-methylpentanimidamide?
The InChIKey is IFDSDBAPTVDSRO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-12(6-2)10(11)8-7-9(3)4/h9,11H,5-8H2,1-4H3/b11-10+.
What are the key properties of N,N-diethyl-4-methylpentanimidamide?
N,N-diethyl-4-methylpentanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylpentanimidamide is sourced from PubChem (CID 63179219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).