1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine

C13H28N2O — CID 43751776

IUPAC1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCC1CCOC1
InChIInChI=1S/C13H28N2O/c1-11(2)7-13(9-15(3)4)14-8-12-5-6-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyMSGGOLICCGZQRK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine (PubChem CID 43751776) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
PubChem CID43751776
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCC1CCOC1
InChIInChI=1S/C13H28N2O/c1-11(2)7-13(9-15(3)4)14-8-12-5-6-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyMSGGOLICCGZQRK-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
CID 94422130
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
1-N,1-N,4-trimethyl-2-N-[2-(oxolan-2-yl)ethyl]pentane-1,2-diamine
CID 65164114
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine (CID 43751776) is 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NCC1CCOC1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is MSGGOLICCGZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)7-13(9-15(3)4)14-8-12-5-6-16-10-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 43751776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).