N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine

C9H20N2O — CID 116948007

IUPACN,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCNCC(NC)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-10-7-9(11-2)8-3-5-12-6-4-8/h8-11H,3-7H2,1-2H3
InChIKeyPMTDRVKVHNFXAY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.22
Rot. Bonds4

About N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine

N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 116948007) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID116948007
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCNCC(NC)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-10-7-9(11-2)8-3-5-12-6-4-8/h8-11H,3-7H2,1-2H3
InChIKeyPMTDRVKVHNFXAY-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
CID 82923429
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
5-(methylamino)-5-(oxan-4-yl)pentan-2-one
CID 116956247
N-methyl-2-morpholin-2-yl-1-(oxan-4-yl)ethanamine
CID 116956880
(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
CID 129462655
(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
CID 129494993
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
N-methyl-2-(oxan-4-yloxy)propan-1-amine
CID 62440891
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936078

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 116948007) is N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine is CNCC(NC)C1CCOCC1.
What is the InChIKey of N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is PMTDRVKVHNFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-7-9(11-2)8-3-5-12-6-4-8/h8-11H,3-7H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 116948007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).