3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine

C12H26N2O — CID 112556025

IUPAC3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
SMILESCC1(CNCC(N)C(C)(C)C)CCCO1
InChIInChI=1S/C12H26N2O/c1-11(2,3)10(13)8-14-9-12(4)6-5-7-15-12/h10,14H,5-9,13H2,1-4H3
InChIKeyMRGYQUJUDYYPNQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.52
Rot. Bonds4

About 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine

3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine (PubChem CID 112556025) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
PubChem CID112556025
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
SMILESCC1(CNCC(N)C(C)(C)C)CCCO1
InChIInChI=1S/C12H26N2O/c1-11(2,3)10(13)8-14-9-12(4)6-5-7-15-12/h10,14H,5-9,13H2,1-4H3
InChIKeyMRGYQUJUDYYPNQ-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119322777
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
CID 166557187
1-[(2-methyloxolan-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115687378
2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
CID 81419974
4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine
CID 106675770
7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948187
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81169258
cis-(1R,3S)-2,2-dimethyl-3-[(2-methyloxolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114092591

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine (CID 112556025) is 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine is CC1(CNCC(N)C(C)(C)C)CCCO1.
What is the InChIKey of 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine?
The InChIKey is MRGYQUJUDYYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)10(13)8-14-9-12(4)6-5-7-15-12/h10,14H,5-9,13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine?
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 112556025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).