N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine

C14H31N3O — CID 55226596

IUPACN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
SMILESCC(C)NCC1(CN(C)CCN(C)C)CCOC1
InChIInChI=1S/C14H31N3O/c1-13(2)15-10-14(6-9-18-12-14)11-17(5)8-7-16(3)4/h13,15H,6-12H2,1-5H3
InChIKeyVZUXVJBJFAHCPE-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine (PubChem CID 55226596) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
PubChem CID55226596
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
SMILESCC(C)NCC1(CN(C)CCN(C)C)CCOC1
InChIInChI=1S/C14H31N3O/c1-13(2)15-10-14(6-9-18-12-14)11-17(5)8-7-16(3)4/h13,15H,6-12H2,1-5H3
InChIKeyVZUXVJBJFAHCPE-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
5-[methyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]pentan-1-ol
CID 107204713
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 63009367
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine (CID 55226596) is N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine is CC(C)NCC1(CN(C)CCN(C)C)CCOC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is VZUXVJBJFAHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2)15-10-14(6-9-18-12-14)11-17(5)8-7-16(3)4/h13,15H,6-12H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 55226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).