1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine

C14H30N2O — CID 79828360

IUPAC1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
SMILESCCN(C(C)COC)C1CCCC(C)(C)C1N
InChIInChI=1S/C14H30N2O/c1-6-16(11(2)10-17-5)12-8-7-9-14(3,4)13(12)15/h11-13H,6-10,15H2,1-5H3
InChIKeyRYXSMQYKEGNVKE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds5

About 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine

1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine (PubChem CID 79828360) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
PubChem CID79828360
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
SMILESCCN(C(C)COC)C1CCCC(C)(C)C1N
InChIInChI=1S/C14H30N2O/c1-6-16(11(2)10-17-5)12-8-7-9-14(3,4)13(12)15/h11-13H,6-10,15H2,1-5H3
InChIKeyRYXSMQYKEGNVKE-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828501
2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
CID 80561797
6-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848872
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79626494

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine (CID 79828360) is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine is CCN(C(C)COC)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine?
The InChIKey is RYXSMQYKEGNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-16(11(2)10-17-5)12-8-7-9-14(3,4)13(12)15/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine?
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).