2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine

C14H30N2O — CID 114113989

IUPAC2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNC1(C)CCCOC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)8-12(9-15)10-16-14(4)6-5-7-17-11-14/h12,16H,5-11,15H2,1-4H3
InChIKeyHBFHKKUCJQZTRC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.16
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine (PubChem CID 114113989) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
PubChem CID114113989
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNC1(C)CCCOC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)8-12(9-15)10-16-14(4)6-5-7-17-11-14/h12,16H,5-11,15H2,1-4H3
InChIKeyHBFHKKUCJQZTRC-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-3-methyloxan-3-amine
CID 105796389
N-(3-fluoropropyl)-3-methyloxan-3-amine
CID 105796405
3-(2,2-Dimethylpropyl)morpholine
CID 57894448
3-methyl-N-propan-2-yloxan-3-amine
CID 58799489
3-(aminomethyl)-N-ethyloxan-3-amine
CID 64173443
3-Methyl-3-propylmorpholine
CID 83528831
N-ethyl-3-methyloxan-3-amine
CID 89292258
(3R)-N-(3-methylbutyl)oxan-3-amine
CID 95380375
(3R)-N-(3,3-dimethylbutyl)oxan-3-amine
CID 96236138
(R)-3-Neopentylmorpholine
CID 96735772
(S)-3-Neopentylmorpholine
CID 96735773
3-methyl-N-(2-methylpropyl)oxan-3-amine
CID 103897364

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine (CID 114113989) is 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine is CC(C)(C)CC(CN)CNC1(C)CCCOC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine?
The InChIKey is HBFHKKUCJQZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)8-12(9-15)10-16-14(4)6-5-7-17-11-14/h12,16H,5-11,15H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 114113989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).