N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine

C15H32N2O — CID 62256954

IUPACN,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-5-9-16-12-15(2,3)13-17(4)11-14-8-6-7-10-18-14/h14,16H,5-13H2,1-4H3
InChIKeyPSUFDIZDPAJROR-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine

N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 62256954) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID62256954
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-5-9-16-12-15(2,3)13-17(4)11-14-8-6-7-10-18-14/h14,16H,5-13H2,1-4H3
InChIKeyPSUFDIZDPAJROR-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide
CID 63911732
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62257104
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62257203
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (CID 62256954) is N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)CC1CCCCO1.
What is the InChIKey of N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is PSUFDIZDPAJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-16-12-15(2,3)13-17(4)11-14-8-6-7-10-18-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62256954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).