2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine

C11H22N2O — CID 65377354

IUPAC2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)(NCC1CCCO1)C1CC1
InChIInChI=1S/C11H22N2O/c1-11(8-12,9-4-5-9)13-7-10-3-2-6-14-10/h9-10,13H,2-8,12H2,1H3
InChIKeyMXJDEILSEHOTSZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.88
Rot. Bonds5

About 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine

2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 65377354) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID65377354
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)(NCC1CCCO1)C1CC1
InChIInChI=1S/C11H22N2O/c1-11(8-12,9-4-5-9)13-7-10-3-2-6-14-10/h9-10,13H,2-8,12H2,1H3
InChIKeyMXJDEILSEHOTSZ-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378602
2-methyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378813
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 65377354) is 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CC(CN)(NCC1CCCO1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is MXJDEILSEHOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(8-12,9-4-5-9)13-7-10-3-2-6-14-10/h9-10,13H,2-8,12H2,1H3.
What are the key properties of 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 65377354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).