4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine

C16H32N2O — CID 99854324

IUPAC4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
SMILESC[C@@H]1CC[C@@H](NCC2(N(C)C)CCOCC2)[C@@H](C)C1
InChIInChI=1S/C16H32N2O/c1-13-5-6-15(14(2)11-13)17-12-16(18(3)4)7-9-19-10-8-16/h13-15,17H,5-12H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyTZXCUUSMWXWNFY-QLFBSQMISA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds4

About 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine

4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 99854324) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID99854324
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
SMILESC[C@@H]1CC[C@@H](NCC2(N(C)C)CCOCC2)[C@@H](C)C1
InChIInChI=1S/C16H32N2O/c1-13-5-6-15(14(2)11-13)17-12-16(18(3)4)7-9-19-10-8-16/h13-15,17H,5-12H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyTZXCUUSMWXWNFY-QLFBSQMISA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine with MolForge

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Related Compounds

4-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 129374167
3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
CID 104532084
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
(3S)-3-[[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854347
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine (CID 99854324) is 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine is C[C@@H]1CC[C@@H](NCC2(N(C)C)CCOCC2)[C@@H](C)C1.
What is the InChIKey of 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is TZXCUUSMWXWNFY-QLFBSQMISA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-5-6-15(14(2)11-13)17-12-16(18(3)4)7-9-19-10-8-16/h13-15,17H,5-12H2,1-4H3/t13-,14+,15-/m1/s1.
What are the key properties of 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine?
4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 99854324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).