6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide

C13H27N3 — CID 106711942

IUPAC6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)C1CC1
InChIInChI=1S/C13H27N3/c1-4-16(11-7-8-11)10-6-5-9-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyAPGNMTZCPMBHEA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.60
Rot. Bonds8

About 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide

6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106711942) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106711942
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)C1CC1
InChIInChI=1S/C13H27N3/c1-4-16(11-7-8-11)10-6-5-9-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15)
InChIKeyAPGNMTZCPMBHEA-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
5-[cyclopropyl(2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 65258573
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
2,2-dimethyloctanimidamide
CID 58158153
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide (CID 106711942) is 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CC)C1CC1.
What is the InChIKey of 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is APGNMTZCPMBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-16(11-7-8-11)10-6-5-9-13(2,3)12(14)15/h11H,4-10H2,1-3H3,(H3,14,15).
What are the key properties of 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide?
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).