N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine

C12H26N2O — CID 61436273

IUPACN,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCNCCCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-13-8-4-5-9-14(2)11-12-7-3-6-10-15-12/h12-13H,3-11H2,1-2H3
InChIKeyYECUUKUQQPMRRZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine

N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine (PubChem CID 61436273) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
PubChem CID61436273
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCNCCCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-13-8-4-5-9-14(2)11-12-7-3-6-10-15-12/h12-13H,3-11H2,1-2H3
InChIKeyYECUUKUQQPMRRZ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
CID 61436258

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine (CID 61436273) is N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine is CNCCCCN(C)CC1CCCCO1.
What is the InChIKey of N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The InChIKey is YECUUKUQQPMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-13-8-4-5-9-14(2)11-12-7-3-6-10-15-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 61436273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).