5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide

C15H31N3 — CID 65258758

IUPAC5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)C1CCCCC1
InChIInChI=1S/C15H31N3/c1-4-18(13-9-6-5-7-10-13)12-8-11-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyZJNLGNOPJZMUIE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.38
Rot. Bonds7

About 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide

5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258758) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258758
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)C1CCCCC1
InChIInChI=1S/C15H31N3/c1-4-18(13-9-6-5-7-10-13)12-8-11-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyZJNLGNOPJZMUIE-UHFFFAOYSA-N
XLogP3.38
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
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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Related Compounds

6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
5-[cyclopropyl(2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 65258573
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
CID 106811363
4-cycloheptyloxy-2,2-dimethylbutanimidamide
CID 65251287
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
5-[cyclopentyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64798547
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide (CID 65258758) is 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CC)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is ZJNLGNOPJZMUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-18(13-9-6-5-7-10-13)12-8-11-15(2,3)14(16)17/h13H,4-12H2,1-3H3,(H3,16,17).
What are the key properties of 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide?
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 253.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).