1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine

C13H21NO — CID 62065239

IUPAC1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
SMILESC1=COC(CNC(C2CC2)C2CC2)CC1
InChIInChI=1S/C13H21NO/c1-2-8-15-12(3-1)9-14-13(10-4-5-10)11-6-7-11/h2,8,10-14H,1,3-7,9H2
InChIKeyKUAAHNHAXQGOJO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.46
Rot. Bonds5

About 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine

1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine (PubChem CID 62065239) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
PubChem CID62065239
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
SMILESC1=COC(CNC(C2CC2)C2CC2)CC1
InChIInChI=1S/C13H21NO/c1-2-8-15-12(3-1)9-14-13(10-4-5-10)11-6-7-11/h2,8,10-14H,1,3-7,9H2
InChIKeyKUAAHNHAXQGOJO-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 62064200
CID 62064200
CID 62064254
CID 62064254
CID 62064696
CID 62064696
CID 62064712
CID 62064712
CID 62064724
CID 62064724
CID 62064759
CID 62064759
CID 62064761
CID 62064761
CID 62064762
CID 62064762
CID 62064920
CID 62064920
CID 62064921
CID 62064921
CID 62065056
CID 62065056
CID 62065291
CID 62065291

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine (CID 62065239) is 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine is C1=COC(CNC(C2CC2)C2CC2)CC1.
What is the InChIKey of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The InChIKey is KUAAHNHAXQGOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-8-15-12(3-1)9-14-13(10-4-5-10)11-6-7-11/h2,8,10-14H,1,3-7,9H2.
What are the key properties of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine is sourced from PubChem (CID 62065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).