2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine

C11H24N2O — CID 104856010

IUPAC2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NCC(C)NC[C@@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-9(2)12-7-10(3)13-8-11-5-4-6-14-11/h9-13H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeySLDNFFWCFAGVES-DTIOYNMSSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds6

About 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine

2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 104856010) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID104856010
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NCC(C)NC[C@@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-9(2)12-7-10(3)13-8-11-5-4-6-14-11/h9-13H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeySLDNFFWCFAGVES-DTIOYNMSSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79548794

Frequently Asked Questions

What is the IUPAC name of 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine (CID 104856010) is 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine is CC(C)NCC(C)NC[C@@H]1CCCO1.
What is the InChIKey of 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is SLDNFFWCFAGVES-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)12-7-10(3)13-8-11-5-4-6-14-11/h9-13H,4-8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine?
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 104856010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).