N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine

C14H24N2O2 — CID 124729941

IUPACN,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
SMILESCN(CC#CCN(C)[C@H]1CCOC1)[C@H]1CCOC1
InChIInChI=1S/C14H24N2O2/c1-15(13-5-9-17-11-13)7-3-4-8-16(2)14-6-10-18-12-14/h13-14H,5-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyGUYPDAQYHQFPHL-KBPBESRZSA-N
MW252.36 g/mol
LogP0.43
Rot. Bonds4

About N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine

N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine (PubChem CID 124729941) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
PubChem CID124729941
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
SMILESCN(CC#CCN(C)[C@H]1CCOC1)[C@H]1CCOC1
InChIInChI=1S/C14H24N2O2/c1-15(13-5-9-17-11-13)7-3-4-8-16(2)14-6-10-18-12-14/h13-14H,5-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyGUYPDAQYHQFPHL-KBPBESRZSA-N
XLogP0.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
N-butyl-N-methyloxolan-3-amine
CID 154189060
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
CID 115773014
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine (CID 124729941) is N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine is CN(CC#CCN(C)[C@H]1CCOC1)[C@H]1CCOC1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine?
The InChIKey is GUYPDAQYHQFPHL-KBPBESRZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15(13-5-9-17-11-13)7-3-4-8-16(2)14-6-10-18-12-14/h13-14H,5-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine?
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine is sourced from PubChem (CID 124729941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).