N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H30N2O — CID 43403677

IUPACN-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCCCO1)C(C)C
InChIInChI=1S/C14H30N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h12-15H,5-11H2,1-4H3
InChIKeyWHFVZCUZMQNKHL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43403677) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43403677
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCCCO1)C(C)C
InChIInChI=1S/C14H30N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h12-15H,5-11H2,1-4H3
InChIKeyWHFVZCUZMQNKHL-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43403677) is N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCC1CCCCO1)C(C)C.
What is the InChIKey of N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is WHFVZCUZMQNKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43403677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).