N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine

C17H37N3O — CID 102997192

IUPACN,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(CNC)CCOCC1
InChIInChI=1S/C17H37N3O/c1-5-19(6-2)11-8-12-20(7-3)16-17(15-18-4)9-13-21-14-10-17/h18H,5-16H2,1-4H3
InChIKeyPHQMIPCLMHEOFX-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.06
Rot. Bonds11

About N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine (PubChem CID 102997192) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
PubChem CID102997192
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC NameN,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(CNC)CCOCC1
InChIInChI=1S/C17H37N3O/c1-5-19(6-2)11-8-12-20(7-3)16-17(15-18-4)9-13-21-14-10-17/h18H,5-16H2,1-4H3
InChIKeyPHQMIPCLMHEOFX-UHFFFAOYSA-N
XLogP2.06
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 63955479
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-ethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]propan-1-amine
CID 168996046
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62259384
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 63739640

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine (CID 102997192) is N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine is CCN(CC)CCCN(CC)CC1(CNC)CCOCC1.
What is the InChIKey of N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine?
The InChIKey is PHQMIPCLMHEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-19(6-2)11-8-12-20(7-3)16-17(15-18-4)9-13-21-14-10-17/h18H,5-16H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine has a molecular weight of 299.50 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).