N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C13H21NO2 — CID 150127133

IUPACN,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2CC1CC2N(CC1CO1)CC1CO1
InChIInChI=1S/C13H21NO2/c1-2-10-3-9(1)4-13(10)14(5-11-7-15-11)6-12-8-16-12/h9-13H,1-8H2
InChIKeyFALRDFRIYRYKOX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds5

About N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 150127133) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID150127133
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2CC1CC2N(CC1CO1)CC1CO1
InChIInChI=1S/C13H21NO2/c1-2-10-3-9(1)4-13(10)14(5-11-7-15-11)6-12-8-16-12/h9-13H,1-8H2
InChIKeyFALRDFRIYRYKOX-UHFFFAOYSA-N
XLogP1.27
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
2-(2-bicyclo[2.2.1]heptanyl)-4-(chloromethyl)-1,3-dioxolane
CID 130608231
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 61441728
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
CID 127003842
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 150127133) is N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is C1CC2CC1CC2N(CC1CO1)CC1CO1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is FALRDFRIYRYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-10-3-9(1)4-13(10)14(5-11-7-15-11)6-12-8-16-12/h9-13H,1-8H2.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 150127133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).