1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide

C14H29N3O2 — CID 106872875

IUPAC1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCCC1OC
InChIInChI=1S/C14H29N3O2/c1-4-17(5-2)11-10-16-14(13(15)18)9-7-6-8-12(14)19-3/h12,16H,4-11H2,1-3H3,(H2,15,18)
InChIKeyIJDSDTBTWQQULH-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds8

About 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide

1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide (PubChem CID 106872875) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
PubChem CID106872875
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCCC1OC
InChIInChI=1S/C14H29N3O2/c1-4-17(5-2)11-10-16-14(13(15)18)9-7-6-8-12(14)19-3/h12,16H,4-11H2,1-3H3,(H2,15,18)
InChIKeyIJDSDTBTWQQULH-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
CID 64755549
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
3-[2-(diethylamino)ethylamino]-2-methylthiane-3-carboxamide
CID 79952038
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
CID 106873125
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
1-[2-(diethylamino)ethylamino]cyclopropane-1-carboxamide
CID 104577737
4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
CID 114499582
1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
CID 64754341
methyl 1-(3-azidopropylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873198
ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide (CID 106872875) is 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide is CCN(CC)CCNC1(C(N)=O)CCCCC1OC.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide?
The InChIKey is IJDSDTBTWQQULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-17(5-2)11-10-16-14(13(15)18)9-7-6-8-12(14)19-3/h12,16H,4-11H2,1-3H3,(H2,15,18).
What are the key properties of 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide?
1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 106872875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).