N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

C10H20N2O — CID 104855992

IUPACN'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESC1CO[C@H](CNCCNC2CC2)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13-7-1)8-11-5-6-12-9-3-4-9/h9-12H,1-8H2/t10-/m0/s1
InChIKeyFLNAKQNGTYRCFL-JTQLQIEISA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds6

About N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 104855992) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID104855992
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESC1CO[C@H](CNCCNC2CC2)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13-7-1)8-11-5-6-12-9-3-4-9/h9-12H,1-8H2/t10-/m0/s1
InChIKeyFLNAKQNGTYRCFL-JTQLQIEISA-N
XLogP0.51
TPSA33.29 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 ≤ 50.51
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'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (CID 104855992) is N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is C1CO[C@H](CNCCNC2CC2)C1.
What is the InChIKey of N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is FLNAKQNGTYRCFL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-10(13-7-1)8-11-5-6-12-9-3-4-9/h9-12H,1-8H2/t10-/m0/s1.
What are the key properties of N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 104855992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).