N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide

C12H27N3O2 — CID 90250363

IUPACN-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide
SMILESCCCN(CC)CC(O)CN(C=O)CCNC
InChIInChI=1S/C12H27N3O2/c1-4-7-14(5-2)9-12(17)10-15(11-16)8-6-13-3/h11-13,17H,4-10H2,1-3H3
InChIKeyGZUQXBOTUFTVHA-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.24
Rot. Bonds11

About N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide

N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide (PubChem CID 90250363) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide.

Molecular Properties

Compound NameN-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide
PubChem CID90250363
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide
SMILESCCCN(CC)CC(O)CN(C=O)CCNC
InChIInChI=1S/C12H27N3O2/c1-4-7-14(5-2)9-12(17)10-15(11-16)8-6-13-3/h11-13,17H,4-10H2,1-3H3
InChIKeyGZUQXBOTUFTVHA-UHFFFAOYSA-N
XLogP-0.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]acetamide
CID 90250306
1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
CID 90250564
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
4-[formyl-[2-(methylamino)ethyl]amino]butanoic acid
CID 121478834
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
2-[ethyl(2-hydroxypentyl)amino]ethyl (E)-but-2-enoate
CID 102116758
N-[(1Z)-buta-1,3-dienyl]-N'-[3-[ethyl(propyl)amino]-2-hydroxypropyl]methanimidamide
CID 90248347
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide?
The IUPAC name of N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide (CID 90250363) is N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide.
What is the SMILES notation for N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide?
The canonical SMILES for N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide is CCCN(CC)CC(O)CN(C=O)CCNC.
What is the InChIKey of N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide?
The InChIKey is GZUQXBOTUFTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-7-14(5-2)9-12(17)10-15(11-16)8-6-13-3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide?
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide has a molecular weight of 245.37 g/mol, XLogP of -0.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide is sourced from PubChem (CID 90250363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).