1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine

C15H32N2O — CID 43403646

IUPAC1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h14-16H,4-13H2,1-3H3
InChIKeyDICNHUMUPPORJP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine (PubChem CID 43403646) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine
PubChem CID43403646
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCC1CCCCO1
InChIInChI=1S/C15H32N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h14-16H,4-13H2,1-3H3
InChIKeyDICNHUMUPPORJP-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
2-[[[5-(diethylamino)pentan-2-ylamino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111537510
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 64630980
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
N-ethyl-N-methyl-2-(oxan-2-ylmethylamino)propanamide
CID 103108703
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine (CID 43403646) is 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine is CCN(CC)CCCC(C)NCC1CCCCO1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine?
The InChIKey is DICNHUMUPPORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 43403646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).