N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine

C16H35N3O — CID 62436901

IUPACN,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCCCNCC1CCC(CN(CCC)CCN(C)C)O1
InChIInChI=1S/C16H35N3O/c1-5-9-17-13-15-7-8-16(20-15)14-19(10-6-2)12-11-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyCMMJECBNQCOHMR-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds11

About N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 62436901) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID62436901
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCCCNCC1CCC(CN(CCC)CCN(C)C)O1
InChIInChI=1S/C16H35N3O/c1-5-9-17-13-15-7-8-16(20-15)14-19(10-6-2)12-11-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyCMMJECBNQCOHMR-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine (CID 62436901) is N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine is CCCNCC1CCC(CN(CCC)CCN(C)C)O1.
What is the InChIKey of N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is CMMJECBNQCOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-9-17-13-15-7-8-16(20-15)14-19(10-6-2)12-11-18(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 62436901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).