1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

C14H28N2O — CID 79828435

IUPAC1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCN(CC1CCCO1)C1CCCC(C)(C)C1N
InChIInChI=1S/C14H28N2O/c1-14(2)8-4-7-12(13(14)15)16(3)10-11-6-5-9-17-11/h11-13H,4-10,15H2,1-3H3
InChIKeyPEEICYQEMCYKKW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds3

About 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 79828435) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID79828435
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCN(CC1CCCO1)C1CCCC(C)(C)C1N
InChIInChI=1S/C14H28N2O/c1-14(2)8-4-7-12(13(14)15)16(3)10-11-6-5-9-17-11/h11-13H,4-10,15H2,1-3H3
InChIKeyPEEICYQEMCYKKW-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734490
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 79828839
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N,4-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 81459927
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418947
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
1-amino-2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565471

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (CID 79828435) is 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is CN(CC1CCCO1)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is PEEICYQEMCYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)8-4-7-12(13(14)15)16(3)10-11-6-5-9-17-11/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).