N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine

C9H16N2 — CID 177278672

IUPACN-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine
SMILES[C-]#[N+]CC1(CNC(C)C)CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9(4-5-9)6-10-3/h8,11H,4-7H2,1-2H3
InChIKeyIBMOIEONFDTGLL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds4

About N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 177278672) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID177278672
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine
SMILES[C-]#[N+]CC1(CNC(C)C)CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-7-9(4-5-9)6-10-3/h8,11H,4-7H2,1-2H3
InChIKeyIBMOIEONFDTGLL-UHFFFAOYSA-N
XLogP1.68
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 106706062

Frequently Asked Questions

What is the IUPAC name of N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine (CID 177278672) is N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine is [C-]#[N+]CC1(CNC(C)C)CC1.
What is the InChIKey of N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is IBMOIEONFDTGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-7-9(4-5-9)6-10-3/h8,11H,4-7H2,1-2H3.
What are the key properties of N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(isocyanomethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 177278672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).