N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine

C16H34N2O — CID 82743616

IUPACN,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)C1CCOC1
InChIInChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18(5)15-7-9-19-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyYNROBANHVZEZIT-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine

N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine (PubChem CID 82743616) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine
PubChem CID82743616
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)C1CCOC1
InChIInChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18(5)15-7-9-19-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyYNROBANHVZEZIT-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 82753840
N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256517
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine (CID 82743616) is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(C)C1CCOC1.
What is the InChIKey of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine?
The InChIKey is YNROBANHVZEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18(5)15-7-9-19-11-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine?
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 82743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).