N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine

C12H26N2O — CID 65246933

IUPACN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
SMILESCN(CCC(C)(C)CN)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h11H,4-10,13H2,1-3H3
InChIKeyYWNPCCWWLGTGGY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine (PubChem CID 65246933) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
PubChem CID65246933
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
SMILESCN(CCC(C)(C)CN)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h11H,4-10,13H2,1-3H3
InChIKeyYWNPCCWWLGTGGY-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64827729
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine (CID 65246933) is N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine is CN(CCC(C)(C)CN)CC1CCCO1.
What is the InChIKey of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The InChIKey is YWNPCCWWLGTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 65246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).