N-ethyl-N-(2-isocyanoethyl)propan-1-amine

C8H16N2 — CID 66523943

IUPACN-ethyl-N-(2-isocyanoethyl)propan-1-amine
SMILES[C-]#[N+]CCN(CC)CCC
InChIInChI=1S/C8H16N2/c1-4-7-10(5-2)8-6-9-3/h4-8H2,1-2H3
InChIKeyWFSOHKXTNGNLMK-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-N-(2-isocyanoethyl)propan-1-amine

N-ethyl-N-(2-isocyanoethyl)propan-1-amine (PubChem CID 66523943) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethyl-N-(2-isocyanoethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-isocyanoethyl)propan-1-amine
PubChem CID66523943
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethyl-N-(2-isocyanoethyl)propan-1-amine
SMILES[C-]#[N+]CCN(CC)CCC
InChIInChI=1S/C8H16N2/c1-4-7-10(5-2)8-6-9-3/h4-8H2,1-2H3
InChIKeyWFSOHKXTNGNLMK-UHFFFAOYSA-N
XLogP1.64
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 18196
CID 18196
CID 88674
CID 88674
CID 66942
CID 66942
CID 67153
CID 67153
CID 67423
CID 67423
CID 74906
CID 74906
CID 99361
CID 99361
CID 123502
CID 123502
CID 87442
CID 87442
CID 469921
CID 469921
CID 87443
CID 87443
CID 3086049
CID 3086049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-isocyanoethyl)propan-1-amine?
The IUPAC name of N-ethyl-N-(2-isocyanoethyl)propan-1-amine (CID 66523943) is N-ethyl-N-(2-isocyanoethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-isocyanoethyl)propan-1-amine?
The canonical SMILES for N-ethyl-N-(2-isocyanoethyl)propan-1-amine is [C-]#[N+]CCN(CC)CCC.
What is the InChIKey of N-ethyl-N-(2-isocyanoethyl)propan-1-amine?
The InChIKey is WFSOHKXTNGNLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7-10(5-2)8-6-9-3/h4-8H2,1-2H3.
What are the key properties of N-ethyl-N-(2-isocyanoethyl)propan-1-amine?
N-ethyl-N-(2-isocyanoethyl)propan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-isocyanoethyl)propan-1-amine is sourced from PubChem (CID 66523943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).