N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine

C10H20N2O — CID 62064744

IUPACN'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCC1CCC=CO1
InChIInChI=1S/C10H20N2O/c11-6-2-3-7-12-9-10-5-1-4-8-13-10/h4,8,10,12H,1-3,5-7,9,11H2
InChIKeyDHHMGWGNPSZDGG-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.01
Rot. Bonds6

About N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine

N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine (PubChem CID 62064744) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine
PubChem CID62064744
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCC1CCC=CO1
InChIInChI=1S/C10H20N2O/c11-6-2-3-7-12-9-10-5-1-4-8-13-10/h4,8,10,12H,1-3,5-7,9,11H2
InChIKeyDHHMGWGNPSZDGG-UHFFFAOYSA-N
XLogP1.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine 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

(3,4-Dihydro-2H-pyran-2-ylmethyl)-methyl-amine
CID 60136051
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095580
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 107095609
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115516417
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115517329

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine (CID 62064744) is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine is NCCCCNCC1CCC=CO1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine?
The InChIKey is DHHMGWGNPSZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-6-2-3-7-12-9-10-5-1-4-8-13-10/h4,8,10,12H,1-3,5-7,9,11H2.
What are the key properties of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine?
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine has a molecular weight of 184.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 62064744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).