N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine

C12H26N2O — CID 62386315

IUPACN-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-10(2)9-14(3)12(8-13)11-4-6-15-7-5-11/h10-12H,4-9,13H2,1-3H3
InChIKeySXDSYHDAJMQKSA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine

N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62386315) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62386315
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-10(2)9-14(3)12(8-13)11-4-6-15-7-5-11/h10-12H,4-9,13H2,1-3H3
InChIKeySXDSYHDAJMQKSA-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 79304121
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
CID 79483273
3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile
CID 116652822
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 62386315) is N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine is CC(C)CN(C)C(CN)C1CCOCC1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is SXDSYHDAJMQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-14(3)12(8-13)11-4-6-15-7-5-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62386315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).