N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine

C8H14N2 — CID 59768161

IUPACN-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine
SMILES[C-]#[N+]CCN(C)C1(C)CC1
InChIInChI=1S/C8H14N2/c1-8(4-5-8)10(3)7-6-9-2/h4-7H2,1,3H3
InChIKeyCTQXUKGSLQIPPT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.39
Rot. Bonds3

About N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine

N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine (PubChem CID 59768161) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine
PubChem CID59768161
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine
SMILES[C-]#[N+]CCN(C)C1(C)CC1
InChIInChI=1S/C8H14N2/c1-8(4-5-8)10(3)7-6-9-2/h4-7H2,1,3H3
InChIKeyCTQXUKGSLQIPPT-UHFFFAOYSA-N
XLogP1.39
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine?
The IUPAC name of N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine (CID 59768161) is N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine?
The canonical SMILES for N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine is [C-]#[N+]CCN(C)C1(C)CC1.
What is the InChIKey of N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine?
The InChIKey is CTQXUKGSLQIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(4-5-8)10(3)7-6-9-2/h4-7H2,1,3H3.
What are the key properties of N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine?
N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isocyanoethyl)-N,1-dimethylcyclopropan-1-amine is sourced from PubChem (CID 59768161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).