(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine

C10H22N2O — CID 104868334

IUPAC(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
SMILESC[C@H](CN)NCCCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(8-11)12-6-2-4-10-5-3-7-13-10/h9-10,12H,2-8,11H2,1H3/t9-,10?/m1/s1
InChIKeyNKSHONKTLNNCAB-YHMJZVADSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds6

About (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine

(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine (PubChem CID 104868334) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
PubChem CID104868334
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
SMILESC[C@H](CN)NCCCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(8-11)12-6-2-4-10-5-3-7-13-10/h9-10,12H,2-8,11H2,1H3/t9-,10?/m1/s1
InChIKeyNKSHONKTLNNCAB-YHMJZVADSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-[3-(oxolan-2-yl)propyl]pent-1-yn-3-amine
CID 106229517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine (CID 104868334) is (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine is C[C@H](CN)NCCCC1CCCO1.
What is the InChIKey of (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
The InChIKey is NKSHONKTLNNCAB-YHMJZVADSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(8-11)12-6-2-4-10-5-3-7-13-10/h9-10,12H,2-8,11H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine?
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 104868334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).