(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine

C15H32N2O — CID 135235410

IUPAC(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine
SMILESCC(C)C(C)[C@@H]1OC1[C@H](CCN(C)C)CN(C)C
InChIInChI=1S/C15H32N2O/c1-11(2)12(3)14-15(18-14)13(10-17(6)7)8-9-16(4)5/h11-15H,8-10H2,1-7H3/t12?,13-,14+,15?/m1/s1
InChIKeyHCUSJZGGCDVNDH-FUUBYGMNSA-N
MW256.43 g/mol
LogP2.18
Rot. Bonds8

About (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine

(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine (PubChem CID 135235410) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine.

Molecular Properties

Compound Name(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine
PubChem CID135235410
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine
SMILESCC(C)C(C)[C@@H]1OC1[C@H](CCN(C)C)CN(C)C
InChIInChI=1S/C15H32N2O/c1-11(2)12(3)14-15(18-14)13(10-17(6)7)8-9-16(4)5/h11-15H,8-10H2,1-7H3/t12?,13-,14+,15?/m1/s1
InChIKeyHCUSJZGGCDVNDH-FUUBYGMNSA-N
XLogP2.18
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,2-N,2-N,4-N,4-N-hexamethylbutane-1,2,4-triamine
CID 151532643
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
CID 21287725
CID 21287725
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine
CID 88939671
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
CID 87406982
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine?
The IUPAC name of (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine (CID 135235410) is (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine.
What is the SMILES notation for (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine?
The canonical SMILES for (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine is CC(C)C(C)[C@@H]1OC1[C@H](CCN(C)C)CN(C)C.
What is the InChIKey of (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine?
The InChIKey is HCUSJZGGCDVNDH-FUUBYGMNSA-N. The full InChI is InChI=1S/C15H32N2O/c1-11(2)12(3)14-15(18-14)13(10-17(6)7)8-9-16(4)5/h11-15H,8-10H2,1-7H3/t12?,13-,14+,15?/m1/s1.
What are the key properties of (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine?
(2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,N',N'-tetramethyl-2-[(3S)-3-(3-methylbutan-2-yl)oxiran-2-yl]butane-1,4-diamine is sourced from PubChem (CID 135235410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).