N'-(3-methyloxan-4-yl)ethane-1,2-diamine

C8H18N2O — CID 130491324

IUPACN'-(3-methyloxan-4-yl)ethane-1,2-diamine
SMILESCC1COCCC1NCCN
InChIInChI=1S/C8H18N2O/c1-7-6-11-5-2-8(7)10-4-3-9/h7-8,10H,2-6,9H2,1H3
InChIKeyIOMBZLUBMGRFOG-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds3

About N'-(3-methyloxan-4-yl)ethane-1,2-diamine

N'-(3-methyloxan-4-yl)ethane-1,2-diamine (PubChem CID 130491324) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(3-methyloxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyloxan-4-yl)ethane-1,2-diamine
PubChem CID130491324
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(3-methyloxan-4-yl)ethane-1,2-diamine
SMILESCC1COCCC1NCCN
InChIInChI=1S/C8H18N2O/c1-7-6-11-5-2-8(7)10-4-3-9/h7-8,10H,2-6,9H2,1H3
InChIKeyIOMBZLUBMGRFOG-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 114075327
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
(3R,4S)-N-benzyl-3-methyloxan-4-amine
CID 121252774
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114240737
3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
CID 130173693
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 99802194
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-but-3-yn-2-yl-3-methyloxan-4-amine
CID 130491339
3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
CID 130635598

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyloxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyloxan-4-yl)ethane-1,2-diamine (CID 130491324) is N'-(3-methyloxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyloxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyloxan-4-yl)ethane-1,2-diamine is CC1COCCC1NCCN.
What is the InChIKey of N'-(3-methyloxan-4-yl)ethane-1,2-diamine?
The InChIKey is IOMBZLUBMGRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7-6-11-5-2-8(7)10-4-3-9/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N'-(3-methyloxan-4-yl)ethane-1,2-diamine?
N'-(3-methyloxan-4-yl)ethane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyloxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 130491324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).