N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide

C6H14N2O2 — CID 18475247

IUPACN-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
SMILESCC(C)N(O)CCNC=O
InChIInChI=1S/C6H14N2O2/c1-6(2)8(10)4-3-7-5-9/h5-6,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyRWSVSTUORRBLQB-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.17
Rot. Bonds5

About N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide

N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide (PubChem CID 18475247) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
PubChem CID18475247
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC NameN-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
SMILESCC(C)N(O)CCNC=O
InChIInChI=1S/C6H14N2O2/c1-6(2)8(10)4-3-7-5-9/h5-6,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyRWSVSTUORRBLQB-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
CID 118297525
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
N-[4-(methylamino)pentyl]formamide
CID 153396942
N-(5-formamidohexyl)formamide
CID 154679922
(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
CID 176580093
2-[hydroxy(propan-2-yl)amino]ethanesulfinic acid
CID 23382885
2-[hydroxy(propan-2-yl)amino]ethanesulfonate
CID 58636265
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
2-methoxyethyl N,N-bis(2-formamidoethyl)carbamate
CID 89335039
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
N-(2-methoxyethyl)formamide;sulfuric acid
CID 161274600

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide?
The IUPAC name of N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide (CID 18475247) is N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide.
What is the SMILES notation for N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide?
The canonical SMILES for N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide is CC(C)N(O)CCNC=O.
What is the InChIKey of N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide?
The InChIKey is RWSVSTUORRBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(2)8(10)4-3-7-5-9/h5-6,10H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide?
N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide has a molecular weight of 146.19 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide is sourced from PubChem (CID 18475247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).